SCHEMBL8345576

SCHEMBL8345576

COC(=O)c1cnccc1Nc1nc(-c2cc(Cl)ccc2F)ncc1C1CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.56
ACVR1B P36896 10/20 0.53
ACVRL1 P37023 9/20 0.49
CYP3A4 P08684 1/20 0.43
NUDT1 P36639 1/20 0.43
ACVR1 Q04771 2/20 0.42
BMPR1A P36894 1/20 0.42
BUB1 O43683 2/20 0.42

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
SCHEMBL8348197 0.97 TGFBR1 (0.54) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8346612 0.90 TGFBR1 (0.53) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8346606 0.90 TGFBR1 (0.57) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8344359 0.87 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8348021 0.87 TGFBR1 (0.51) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8348082 0.86 NUDT1 (0.55) TGFBR1ACVR1BACVRL1CYP3A4NUDT1
SCHEMBL8348960 0.86 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1CYP3A4ACVR1
SCHEMBL8346247 0.85 TGFBR1 (0.59) TGFBR1ACVR1BACVRL1NUDT1ACVR1
SCHEMBL8345663 0.85 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1CYP3A4ACVR1
SCHEMBL13649284 0.85 TGFBR1 (0.58) TGFBR1ACVR1BACVRL1NUDT1ACVR1

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 3765/4885ACVR1B 3981/4885ACVRL1 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.