SCHEMBL18638201

SCHEMBL18638201

CCCC(C)c1cc(F)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
CYP11B1 P15538 7/20 0.35
CYP11B2 P19099 7/20 0.35
AR P10275 4/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
PGR P06401 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL12041233 0.79 TRPV4 (0.42) ALKMAOAMAOBTRPV4CYP11B1
SCHEMBL19880492 0.78 GCGR (0.32)
SCHEMBL18885183 0.78 PSEN1 (0.41) ALDH1A1HPGD
SCHEMBL18717463 0.77 TRPV4 (0.43) MAOAMAOBTRPV4CYP11B1CYP11B2
SCHEMBL16952493 0.76 CYP11B1 (0.41) ALKMAOAMAOBTRPV4CYP11B1
SCHEMBL10490933 0.76 TSHR (0.41) MAOAMAOBALDH1A1HPGD
SCHEMBL26354846 0.76 TRPV4 (0.40) ALKMAOAMAOBTRPV4CYP11B1
SCHEMBL12179488 0.76 TRPV4 (0.44) ALKMAOAMAOBTRPV4CYP11B1
SCHEMBL30682573 0.76 ALK (0.42) ALKMAOAMAOBTRPV4CYP11B1
SCHEMBL25688973 0.76 CYP11B1 (0.46) ALKMAOAMAOBTRPV4CYP11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2020-10-29 US disclosed
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 US disclosed
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-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

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

For each of this compound's patents that has machine-readable text (3 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 ALK 458/4885MAOA 3725/4885MAOB 2038/4885
US-20200338077-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALK 458/4885MAOA 3725/4885MAOB 2038/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALK 458/4885MAOA 3725/4885MAOB 2038/4885

“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.