SCHEMBL8967950

SCHEMBL8967950

CC(N)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2)n1)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.40
ADORA1 P30542 1/20 0.40
ADORA2B P29275 2/20 0.39
PLOD2 O00469 2/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
VNN1 O95497 5/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8967250 0.83 NPC1 (0.50) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8967967 0.83 ADORA2A (0.40) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL9009827 0.82 PRKCQ (0.44) KMT2AMEN1LMNA
SCHEMBL8967604 0.81 ADORA2A (0.38) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8968084 0.81 ADORA2A (0.38) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8968052 0.81 ADORA2A (0.38) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8967532 0.78 PLOD2 (0.43) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8967717 0.77 ADORA2A (0.40) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8967026 0.77 ADORA2A (0.43) ADORA2AADORA1ADORA2BPLOD2PLOD3
SCHEMBL8967897 0.76 PRKCQ (0.41) ADORA2AADORA1ADORA2BPLOD2PLOD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 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 (1 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 ADORA2A 2571/4885ADORA1 3006/4885ADORA2B 3481/4885

“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.