SCHEMBL3824178

SCHEMBL3824178

Fc1ccc(Cl)cc1-c1ncc(C2CCCC2)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.40
ACVR1B P36896 2/20 0.40
BMPR1A P36894 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
PTGDR2 Q9Y5Y4 6/20 0.36
PTGDR Q13258 4/20 0.36
OPRL1 P41146 2/20 0.36
PROKR1 Q8TCW9 1/20 0.35
PTGER2 P43116 1/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
PLAT P00750 1/20 0.34
PRKD3 O94806 1/20 0.34
PRKD1 Q15139 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
PDE2A O00408 1/20 0.33

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
SCHEMBL8347929 0.97 TGFBR1 (0.40) TGFBR1ACVR1BBMPR1AACVRL1ACVR1
SCHEMBL8347188 0.94 TGFBR1 (0.43) TGFBR1ACVR1BBMPR1AACVRL1ACVR1
SCHEMBL8346113 0.74 PIM1 (0.38) TGFBR1PRKD3PRKD1PRKD2
SCHEMBL13649319 0.74 TGFBR1 (0.41) TGFBR1ACVR1BBMPR1AACVRL1ACVR1
SCHEMBL8347937 0.73 TGFBR1 (0.36) TGFBR1ACVR1BACVRL1PROKR1PRKD3
SCHEMBL3838556 0.71 TGFBR1 (0.47) TGFBR1ACVR1BBMPR1AACVRL1ACVR1
SCHEMBL8347926 0.71 TGFBR1 (0.41) TGFBR1ACVR1BBMPR1AACVRL1ACVR1
SCHEMBL16879582 0.70 TGFBR1 (0.57) TGFBR1ACVR1BBMPR1AACVRL1ACVR1
SCHEMBL8344312 0.70 MAPT (0.46) TGFBR1ACVR1BACVRL1
SCHEMBL3838487 0.70 PDE4D (0.36) TGFBR1PRKD3PRKD1PRKD2

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 13 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
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
US-20090247523-A1 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO]PYRIMIDINES USEFUL AS HCV INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-10-01 US disclosed
EP-2097084-A2 CARBOXAMIDE 4-[(4-PYRIDYL)AMINO] PYRIMIDINES FOR THE TREATMENT OF HEPATITIS C Tibotec Pharmaceuticals Ltd. (IE) 2009-09-09 EP 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-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
WO-2006105222-A2 CARBOXAMIDE INHIBITORS OF TGFB SCIOS INC. (US) 2006-10-05 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 (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 3765/4885ACVR1B 3981/4885BMPR1A 3796/4885
US-20060281763-A1 Carboxamide inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885ACVR1B 12/4885BMPR1A 63/4885

“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.