SCHEMBL4096356

SCHEMBL4096356

O=C(On1ccc2c(-c3cnn(Cc4c(Cl)cccc4Cl)c3)ccnc21)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KLKB1 P03952 4/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CREBBP Q92793 2/20 0.33
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
GRM4 Q14833 2/20 0.32
DRD1 P21728 2/20 0.31
RORC P51449 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL4082785 0.88 CREBBP (0.43) CREBBPPDK2
SCHEMBL4093448 0.85 GRM4 (0.36) GRM4
SCHEMBL4088821 0.84 ABL1 (0.42) KLKB1CREBBPPDK2KDM4EGPR119
SCHEMBL4082687 0.84 NPC1 (0.36) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4092257 0.83 ALK (0.46)
SCHEMBL4086711 0.83 KCNH2 (0.41) CREBBPPDK2
SCHEMBL4082704 0.83 GRM4 (0.42) GRM4
SCHEMBL4088108 0.82 CREBBP (0.32) KLKB1CREBBPPDK2
SCHEMBL4082602 0.82 KLKB1 (0.36) KLKB1CREBBPPDK2
SCHEMBL4088061 0.81 ALK (0.46) ALDH1A1KMT2AMAPTNPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885MEN1 3406/4885KMT2A 780/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885MEN1 3406/4885KMT2A 780/4885

“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.