SCHEMBL3843087

SCHEMBL3843087

CC(C)c1cnc(-c2cc(Cl)ccc2F)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.45
PDE5A O76074 1/20 0.40
PDE9A O76083 1/20 0.40
ACVRL1 P37023 7/20 0.39
ACVR1B P36896 6/20 0.39
TRPV1 Q8NER1 3/20 0.39
ACVR1 Q04771 3/20 0.39
GCK P35557 1/20 0.38
PTGES O14684 1/20 0.38
IDH1 O75874 2/20 0.37
BMPR1A P36894 1/20 0.37

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
SCHEMBL13649272 0.82 JAK2 (0.42) TGFBR1ACVR1B
SCHEMBL3841207 0.80 NR1I2 (0.41) TGFBR1ACVRL1ACVR1BPTGES
SCHEMBL3843085 0.73 TGFBR1 (0.39) TGFBR1ACVRL1ACVR1BTRPV1ACVR1
SCHEMBL8347926 0.73 TGFBR1 (0.41) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL13649319 0.73 TGFBR1 (0.41) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL3838556 0.71 TGFBR1 (0.47) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL21190043 0.69 TGFBR1 (0.45) TGFBR1ACVRL1ACVR1BACVR1BMPR1A
SCHEMBL21859295 0.69 TNKS (0.53) TRPV1
SCHEMBL21617885 0.68 TRPV1 (0.35) TGFBR1PDE5APDE9ATRPV1PTGES
SCHEMBL2127203 0.68 PRKD3 (0.47) TGFBR1PTGES

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 19 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
EP-1549316-A4 INHIBITORS OF TFGbeta SCIOS INC (US) 2008-04-09 EP 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
CN-1694708-A Inhibitors of tgfbeta SCIOS INC (US) 2005-11-09 CN disclosed
EP-1549316-A1 INHIBITORS OF TFG&bgr; SCIOS INC. (US) 2005-07-06 EP disclosed
US-20040132730-A1 Inhibitors of TGFbeta SCIOS, INC. 2004-07-08 US disclosed
WO-2004024159-A1 INHIBITORS OF TFGβ SCIOS INC. (US) 2004-03-25 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 (3 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 3765/4885PDE5A 2484/4885PDE9A 3523/4885
US-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885PDE5A 1227/4885PDE9A 3133/4885
US-20060281763-A1 Carboxamide inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 TGFBR1 1/4885PDE5A 1354/4885PDE9A 1871/4885

“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.