SCHEMBL8967756

SCHEMBL8967756

O=C(c1cccnc1)c1nc(OCCC2CCOCC2)ccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
PADI4 Q9UM07 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GAA P10253 1/20 0.37
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
PLOD1 Q02809 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CNR2 P34972 3/20 0.35
CNR1 P21554 1/20 0.35
FLT3 P36888 1/20 0.35
CTSS P25774 2/20 0.35
POLB P06746 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL14984306 0.82 PRKCQ (0.46) GRM4ADORA2ACNR2CNR1FLT3
SCHEMBL8967603 0.80 ADORA2A (0.41) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967508 0.79 CYP11B1 (0.47) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967846 0.72 ADORA2A (0.40) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL5378862 0.69 CTNNB1 (0.52) GAAPLOD2PLOD3PLOD1ALDH1A1
SCHEMBL8967897 0.69 PRKCQ (0.41) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL9012778 0.67 PRKCQ (0.46) GRM4CNR2FLT3
SCHEMBL8967851 0.65 PRKCQ (0.55) ADORA2AADORA1PLOD2PLOD3PLOD1
SCHEMBL8967883 0.65 PRKCQ (0.49) ADORA2AADORA1ALDH1A1FLT3
SCHEMBL27603597 0.64 L3MBTL1 (0.61) GAAALDH1A1

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 GRM4 3721/4885PADI4 2471/4885ADORA2A 2571/4885

“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.