SCHEMBL8346247

SCHEMBL8346247

COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1OC

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.59
BUB1 O43683 10/20 0.55
ACVRL1 P37023 6/20 0.53
ACVR1B P36896 5/20 0.53
NUDT1 P36639 1/20 0.45
ACVR1 Q04771 1/20 0.43

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
SCHEMBL8346014 0.93 TGFBR1 (0.56) TGFBR1BUB1ACVRL1ACVR1BNUDT1
SCHEMBL8347945 0.92 BUB1 (0.58) TGFBR1BUB1ACVRL1ACVR1BNUDT1
SCHEMBL8347402 0.91 BUB1 (0.59) TGFBR1BUB1ACVRL1ACVR1BNUDT1
SCHEMBL13649278 0.88 TGFBR1 (0.53) TGFBR1BUB1ACVRL1ACVR1B
SCHEMBL8344324 0.88 TGFBR1 (0.71) TGFBR1ACVRL1ACVR1BACVR1
SCHEMBL13649284 0.88 TGFBR1 (0.58) TGFBR1BUB1ACVRL1ACVR1BNUDT1
SCHEMBL5955532 0.88 TGFBR1 (0.59) TGFBR1BUB1ACVRL1ACVR1BACVR1
SCHEMBL8346587 0.87 TGFBR1 (0.47) TGFBR1BUB1ACVRL1ACVR1B
SCHEMBL8344443 0.87 TGFBR1 (0.57) TGFBR1BUB1ACVRL1ACVR1BNUDT1
SCHEMBL8347934 0.87 TGFBR1 (0.57) TGFBR1BUB1ACVRL1ACVR1BNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
US-9987277-B2 Carboxamide 4-[(4-pyridyl)amino] pryimidines for the treatment of hepatitis C JANSSEN SCIENCES IRELAND UC (IE) 2018-06-05 US disclosed
EP-2097084-B1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C JANSSEN R & D IRELAND (IE) 2015-01-28 EP disclosed
US-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
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
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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 TGFBR1 3765/4885BUB1 2072/4885ACVRL1 4277/4885

“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.