SCHEMBL625631

SCHEMBL625631

CC(CC#N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.47
▸ HTR2A P28223 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ DAO P14920 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ ACP3 P15309 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ SLC6A4 P31645 2/20 0.40
▸ DRD3 P35462 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12251272 0.84 PNMT (0.45) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL13930330 0.83 PNMT (0.50) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL11084369 0.83 PNMT (0.50) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL8903873 0.83 PNMT (0.44) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL27741685 0.83 TACR1 (0.38) HTR2AHTR2BHTR2CIDO1TDO2
SCHEMBL24767570 0.82 PNMT (0.43) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL20963104 0.81 PNMT (0.45) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL19592386 0.81 PNMT (0.42) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL4729862 0.81 PNMT (0.47) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL22930915 0.81 PNMT (0.47) PNMTHTR2AHTR2BHTR2CDAO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 — — US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 — — US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 — — US disclosed
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-12-01 — — US disclosed
US-20160272648-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-09-22 — — US disclosed
US-9206187-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as Janus kinase INCYTE HOLDINGS CORPORATION (US) 2015-12-08 — — US disclosed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 — — US disclosed
US-20150238492-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2015-08-27 — — US disclosed
US-9079912-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-07-14 — — US disclosed
US-8946245-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2015-02-03 — — US disclosed
US-8530485-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-09-10 — — US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 — — EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 — — US disclosed
CN-103140476-A Novel trpv3 modulators ABBOTT LAB 2013-06-05 — — CN disclosed
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 — — US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 — — US disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 — — US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 — — WO disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 — — US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 PNMT 4341/4885HTR2A 508/4885HTR2B 448/4885
US-20150238492-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 PNMT 4602/4885HTR2A 4846/4885HTR2B 4837/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885
US-20160272648-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 PNMT 3321/4885HTR2A 3786/4885HTR2B 2931/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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