SCHEMBL8967508

SCHEMBL8967508

O=C(c1cccnc1)c1nc(OCCc2ccccc2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
EPHX2 P34913 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ELOVL1 Q9BW60 1/20 0.40
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39

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
SCHEMBL8967603 0.84 ADORA2A (0.41) CYP11B1CYP11B2KMT2ASMN1; SMN2LMNA
SCHEMBL8967756 0.79 GRM4 (0.39) ADORA2AADORA1ALDH1A1CDK5CDK5R1
SCHEMBL8967846 0.79 ADORA2A (0.40) CYP11B1CYP11B2KMT2AMEN1SMN1; SMN2
SCHEMBL8967250 0.79 NPC1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8967950 0.71 ADORA2A (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8967532 0.69 PLOD2 (0.43) NPC1RAB9ASMN1; SMN2EPHX2ADORA2A
SCHEMBL14219781 0.68 LMNA (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8967717 0.67 ADORA2A (0.40) LMNAEPHX2ADORA2AADORA1KDM4E
SCHEMBL8967967 0.67 ADORA2A (0.40) KMT2AMEN1SMN1; SMN2ADORA2AADORA1
SCHEMBL8967747 0.67 ADORA2A (0.43) NPC1RAB9ASMN1; SMN2EPHX2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815866-B2 Aminopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-26 US disclosed
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-30 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CYP11B1 2475/4885CYP11B2 2759/4885KMT2A 1042/4885
US-20130137703-A1 AMINOPYRIDINE KINASE INHIBITORS MAP3K5, MAP3K20, MAP4K5 CYP11B1 2718/4885CYP11B2 2532/4885KMT2A 832/4885

“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.