SCHEMBL13656184

SCHEMBL13656184

CCc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1COOC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 18/20 0.42
ACVRL1 P37023 10/20 0.42
ACVR1B P36896 9/20 0.42
PRKD3 O94806 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39
ACVR1 Q04771 2/20 0.36
TGFBR2 P37173 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BUB1 O43683 1/20 0.35

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
SCHEMBL13656254 0.89 BUB1 (0.43) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL14223509 0.88 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL13649284 0.83 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BACVR1BUB1
SCHEMBL2128393 0.76 TGFBR1 (0.66) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8348218 0.75 TGFBR1 (0.42) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8346587 0.74 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8347168 0.73 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8347025 0.72 TGFBR1 (0.43) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8348254 0.72 TGFBR1 (0.43) TGFBR1ACVRL1ACVR1BPRKD3PRKD1
SCHEMBL8345885 0.72 TGFBR1 (0.45) TGFBR1ACVRL1ACVR1BPRKD3PRKD1

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 1 patent. 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

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 TGFBR1 3765/4885ACVRL1 4277/4885ACVR1B 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.