SCHEMBL13656254

SCHEMBL13656254

COOCc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 14/20 0.43
TGFBR1 P36897 3/20 0.42
ACVR1B P36896 1/20 0.42
ACVRL1 P37023 1/20 0.42
FLT1 P17948 2/20 0.40
KDR P35968 1/20 0.40
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
SLC28A1 O00337 1/20 0.39
STK10 O94804 1/20 0.39
HTR1A P08908 1/20 0.39
DDR1 Q08345 1/20 0.39
CDC42BPG Q6DT37 1/20 0.39
EGFR P00533 1/20 0.38

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
SCHEMBL13656184 0.89 TGFBR1 (0.42) BUB1TGFBR1ACVR1BACVRL1PRKD3
SCHEMBL14223509 0.88 TGFBR1 (0.47) TGFBR1ACVR1BACVRL1PRKD3PRKD1
SCHEMBL8346587 0.86 TGFBR1 (0.47) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8347168 0.84 TGFBR1 (0.47) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8348254 0.84 TGFBR1 (0.43) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8345885 0.84 TGFBR1 (0.45) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8347025 0.84 TGFBR1 (0.43) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8345672 0.82 TGFBR1 (0.42) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8347952 0.81 TGFBR1 (0.46) BUB1TGFBR1ACVR1BACVRL1FLT1
SCHEMBL8348230 0.81 TGFBR1 (0.46) BUB1TGFBR1ACVR1BACVRL1FLT1

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-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
WO-2008040778-A2 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-04-10 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 (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-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS HAVCR2, EIF2AK2, MAVS BUB1 2072/4885TGFBR1 3765/4885ACVR1B 3981/4885

“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.