SCHEMBL4082785

SCHEMBL4082785

O=C(On1ccc2c(-c3cnn(Cc4ccccc4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 11/20 0.43
PDK2 Q15119 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
COMT P21964 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
PIK3CD O00329 1/20 0.39
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
NAMPT P43490 1/20 0.38
JAK1 P23458 1/20 0.37

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
SCHEMBL4088821 0.92 ABL1 (0.42) CREBBPPDK2L3MBTL1IKBKETBK1
SCHEMBL4082602 0.89 KLKB1 (0.36) CREBBPPDK2COMT
SCHEMBL4092257 0.89 ALK (0.46)
SCHEMBL4086711 0.89 KCNH2 (0.41) CREBBPPDK2
SCHEMBL4088108 0.88 CREBBP (0.32) CREBBPPDK2COMT
SCHEMBL4096356 0.88 ALDH1A1 (0.38) CREBBPPDK2
SCHEMBL4093042 0.87 PLA2G1B (0.34) CREBBPPDK2COMT
SCHEMBL4093559 0.87 PDK2 (0.36) CREBBPPDK2
SCHEMBL4088061 0.86 ALK (0.46) CREBBPPDK2
SCHEMBL4082687 0.86 NPC1 (0.36) L3MBTL1

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 CREBBP 1203/4885PDK2 352/4885L3MBTL1 2309/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CREBBP 1203/4885PDK2 352/4885L3MBTL1 2309/4885

“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.