SCHEMBL5954484

SCHEMBL5954484

COc1cnc(-c2cc(Cl)ccc2F)nc1Nc1ccncc1C(=O)NCCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.50
ACVRL1 P37023 3/20 0.50
ACVR1B P36896 2/20 0.50
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
BUB1 O43683 1/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8348242 0.96 TGFBR1 (0.51) TGFBR1ACVRL1ACVR1BCYP2D6CYP2C9
SCHEMBL3826786 0.87 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL14223120 0.87 TGFBR1 (0.56) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL13649375 0.86 TGFBR1 (0.52) TGFBR1ACVRL1ACVR1BFLT1FLT4
SCHEMBL13649369 0.86 TGFBR1 (0.64) TGFBR1ACVRL1ACVR1BFLT1FLT4
SCHEMBL5954627 0.86 TGFBR1 (0.57) TGFBR1ACVRL1ACVR1BFLT1FLT4
SCHEMBL5954832 0.85 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL5954828 0.85 TGFBR1 (0.60) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL8348081 0.85 TGFBR1 (0.58) TGFBR1ACVRL1ACVR1BBUB1
SCHEMBL8347338 0.85 TGFBR1 (0.59) TGFBR1ACVRL1ACVR1BBUB1

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
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.