SCHEMBL4086711

SCHEMBL4086711

O=C(On1ccc2c(-c3cnn(Cc4cccc(OC(F)(F)F)c4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
F2RL3 Q96RI0 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
SCD O00767 1/20 0.37
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
DGAT2 Q96PD7 1/20 0.37
GLS O94925 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ATM Q13315 1/20 0.36
SERPINE1 P05121 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RIPK1 Q13546 1/20 0.35

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
SCHEMBL4092257 0.89 ALK (0.46) KDM4C
SCHEMBL4082785 0.89 CREBBP (0.43) CREBBPPDK2
SCHEMBL4082602 0.87 KLKB1 (0.36) CREBBPPDK2
SCHEMBL4093559 0.86 PDK2 (0.36) KCNH2ROCK2DGAT2CREBBPPDK2
SCHEMBL4088821 0.86 ABL1 (0.42) ABL1BCRKDM4CKDM5BCREBBP
SCHEMBL4088061 0.86 ALK (0.46) CREBBPPDK2
SCHEMBL4096356 0.83 ALDH1A1 (0.38) CREBBPPDK2
SCHEMBL4088108 0.83 CREBBP (0.32) CREBBPPDK2
SCHEMBL4082687 0.81 NPC1 (0.36)
Trifluoroacetic Acid SCHEMBL4086708 0.78 JAK1 (0.46) KCNH2ABL1BCRROCK2ROCK1

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 KCNH2 3465/4885F2RL3 1663/4885ABL1 48/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KCNH2 3465/4885F2RL3 1663/4885ABL1 48/4885

“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.