SCHEMBL3841207

SCHEMBL3841207

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.41
SGK1 O00141 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
JAK2 O60674 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GUSB P08236 1/20 0.35
LMNA P02545 2/20 0.34
HCAR1 Q9BXC0 1/20 0.34
DAO P14920 1/20 0.34
DDO Q99489 1/20 0.34
ERBB2 P04626 1/20 0.34
TGFBR1 P36897 2/20 0.34
PTGES O14684 1/20 0.34
ACVR1B P36896 1/20 0.34
ACVRL1 P37023 1/20 0.34

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) SGK1TNKSTNKS2JAK2GUSB
SCHEMBL3843087 0.80 TGFBR1 (0.45) TGFBR1PTGESACVR1BACVRL1
SCHEMBL3841205 0.73 APEX1 (0.35) NR1I2TNKSPARP1TNKS2LMNA
SCHEMBL13649319 0.73 TGFBR1 (0.41) LMNATGFBR1ACVR1BACVRL1
SCHEMBL8347926 0.73 TGFBR1 (0.41) LMNATGFBR1ACVR1BACVRL1
SCHEMBL3838487 0.72 PDE4D (0.36) HDAC3HDAC1HDAC2HDAC6TGFBR1
SCHEMBL2127203 0.68 PRKD3 (0.47) SGK1GUSBLMNATGFBR1PTGES
SCHEMBL9257716 0.67 HSD11B1 (0.43) LMNA
SCHEMBL6763833 0.66 MAPK1 (0.39) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL16879343 0.66 TGFBR1 (0.43) TGFBR1ACVR1BACVRL1CYP1A2CYP3A4

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 18 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
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 NR1I2 1333/4885SGK1 4688/4885TNKS 383/4885
US-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 NR1I2 2420/4885SGK1 3159/4885TNKS 698/4885
US-20060281763-A1 Carboxamide inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 NR1I2 1901/4885SGK1 4330/4885TNKS 1066/4885

“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.