SCHEMBL3979153

SCHEMBL3979153

CCOC(=O)c1cc(-c2ccncc2)[nH]c1N

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.65
CDC7 O00311 9/20 0.55
CASP1 P29466 1/20 0.51
MAPK14 Q16539 1/20 0.51
ALDH1A1 P00352 2/20 0.49
MMP2 P08253 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DBF4 Q9UBU7 1/20 0.48
PKN1 Q16512 1/20 0.47
PKN2 Q16513 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CSNK1D P48730 1/20 0.46
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46

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
SCHEMBL7997890 0.86 ALDH1A1 (0.56) GCGRALDH1A1HPGDHSD17B10MEN1
SCHEMBL28411840 0.86 GCGR (0.51) GCGRCDC7CASP1ALDH1A1HPGD
SCHEMBL7500235 0.85 LMNA (0.54) GCGRMAPK14ALDH1A1HPGDHSD17B10
SCHEMBL4182065 0.85 GCGR (0.86) GCGRCDC7CASP1MAPK14MMP2
SCHEMBL4174038 0.85 GCGR (0.66) GCGRCDC7CASP1MAPK14MMP2
SCHEMBL4190717 0.84 GCGR (0.72) GCGRCDC7CASP1MAPK14MMP2
SCHEMBL15305092 0.84 GCGR (0.65) GCGRCDC7CASP1MAPK14ALDH1A1
SCHEMBL6268999 0.84 MEN1 (0.51) GCGRCDC7ALDH1A1HSD17B10MEN1
SCHEMBL18342044 0.84 MEN1 (0.55) GCGRCDC7MAPK14ALDH1A1HPGD
SCHEMBL4099274 0.84 GCGR (0.53) GCGRCDC7CASP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271932-A1 SMALL MOLECULE COVALENT ACTIVATORS OF UCP1 DANA FARBER CANCER INST INC (US) 2023-08-31 US disclosed
US-20230271932-A1 SMALL MOLECULE COVALENT ACTIVATORS OF UCP1 DANA FARBER CANCER INST INC (US) 2023-08-31 US disclosed
US-20230271932-A1 SMALL MOLECULE COVALENT ACTIVATORS OF UCP1 DANA FARBER CANCER INST INC (US) 2023-08-31 US disclosed
US-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 US disclosed
WO-2009059272-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS WYETH (US) 2009-05-07 WO 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-20090118276-A1 THIENOPYRIMIDINES, THIENOPYRIDINES, AND PYRROLOPYRIMIDINES AS B-RAF INHIBITORS BRAF, ARAF, RAF1 GCGR 1593/4885CDC7 704/4885CASP1 3684/4885
US-20230271932-A1 SMALL MOLECULE COVALENT ACTIVATORS OF UCP1 PC, FABP4, PCK2 GCGR 267/4885CDC7 1828/4885CASP1 1863/4885

“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.