SCHEMBL4082602

SCHEMBL4082602

O=C(On1ccc2c(-c3cnn(Cc4ccc5ccccc5c4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.36
CREBBP Q92793 2/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.34
MET P08581 2/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDK2 Q15119 1/20 0.34
COMT P21964 1/20 0.34
BCL2L1 Q07817 1/20 0.34

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 0.89 CREBBP (0.43) CREBBPPDK2COMT
SCHEMBL4086711 0.87 KCNH2 (0.41) CREBBPPDK2
SCHEMBL4092257 0.86 ALK (0.46)
SCHEMBL4093559 0.85 PDK2 (0.36) KLKB1CREBBPPDK2
SCHEMBL4088821 0.85 ABL1 (0.42) KLKB1CREBBPPDK2
SCHEMBL4088061 0.84 ALK (0.46) CREBBPMETPDK2
SCHEMBL4088108 0.83 CREBBP (0.32) KLKB1CREBBPPDK2COMT
SCHEMBL4093042 0.83 PLA2G1B (0.34) CREBBPPDK2COMT
SCHEMBL4096356 0.82 ALDH1A1 (0.38) KLKB1CREBBPPDK2
SCHEMBL4082687 0.82 NPC1 (0.36)

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 KLKB1 2528/4885CREBBP 1203/4885CYP2C9 2421/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KLKB1 2528/4885CREBBP 1203/4885CYP2C9 2421/4885

“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.