SCHEMBL5954828

SCHEMBL5954828

COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCN

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 15/20 0.60
ACVRL1 P37023 13/20 0.60
ACVR1B P36896 14/20 0.58
BUB1 O43683 5/20 0.50
BMPR1A P36894 1/20 0.49
ACVR1 Q04771 1/20 0.49

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
SCHEMBL3826786 0.95 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL5954715 0.95 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL8348081 0.93 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL5954832 0.93 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL8347338 0.93 TGFBR1 (0.59) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL5955252 0.93 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL8346119 0.93 TGFBR1 (0.57) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL14223120 0.92 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL5955139 0.91 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1BMPR1A
SCHEMBL5954627 0.91 TGFBR1 (0.57) TGFBR1ACVRL1ACVR1BBUB1BMPR1A

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 8 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
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
US-20060281763-A1 Carboxamide inhibitors of TGFbeta SCIOS INC. 2006-12-14 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 (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-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS HAVCR2, EIF2AK2, MAVS TGFBR1 3765/4885ACVRL1 4277/4885ACVR1B 3981/4885
US-20060281763-A1 Carboxamide inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ACVRL1 39/4885ACVR1B 12/4885

“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.