SCHEMBL8967897

SCHEMBL8967897

NCC1CCC(CNc2ccc(C(F)(F)F)c(C(=O)c3cccnc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
CRHR1 P34998 3/20 0.40
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
IDH1 O75874 1/20 0.39
ADORA2B P29275 2/20 0.37
CCNT1 O60563 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
VCP P55072 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL9012942 0.82 PRKCQ (0.46) PRKCQADORA2AADORA1CRHR1IDH1
SCHEMBL8967026 0.80 ADORA2A (0.43) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967717 0.76 ADORA2A (0.40) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967950 0.76 ADORA2A (0.40) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967250 0.76 NPC1 (0.50) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967532 0.74 PLOD2 (0.43) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8968121 0.74 PRKCQ (0.46) PRKCQCRHR1IDH1
SCHEMBL8967967 0.74 ADORA2A (0.40) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8968084 0.74 ADORA2A (0.38) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967604 0.74 ADORA2A (0.38) ADORA2AADORA1PLOD2PLOD3PLOD1

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 PRKCQ 38/4885ADORA2A 2571/4885ADORA1 3006/4885

“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.