SCHEMBL3841205

SCHEMBL3841205

CC(C)(C)c1c[nH]c(-c2cc(Cl)ccc2F)nc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.35
TGFBR1 P36897 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ERBB2 P04626 2/20 0.33
PTGES O14684 1/20 0.33
EGFR P00533 1/20 0.33
TYMS P04818 1/20 0.33
PPOX P50336 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
S100A4 P26447 1/20 0.32
AMY1A P0DUB6 1/20 0.32
PARP1 P09874 2/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
PARP10 Q53GL7 1/20 0.31
NR1I2 O75469 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL3843085 0.78 TGFBR1 (0.39) APEX1TGFBR1LMNAERBB2PTGES
SCHEMBL3841207 0.73 NR1I2 (0.41) TGFBR1LMNAERBB2PTGESTYMS
SCHEMBL9257716 0.66 HSD11B1 (0.43) APEX1LMNAALDH1A1S100A4
SCHEMBL3838487 0.66 PDE4D (0.36) TGFBR1CYP3A4
SCHEMBL6763833 0.66 MAPK1 (0.39) LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1690351 0.64 HDAC3 (0.42) LMNAALDH1A1CYP3A4
SCHEMBL25003236 0.64 PARP1 (0.42) LMNAALDH1A1CYP1A2PARP1F7
SCHEMBL25003400 0.64 PARP1 (0.45) LMNAALDH1A1CYP1A2PARP1F7
SCHEMBL2127201 0.64 TGFBR1 (0.42) APEX1TGFBR1PTGESCYP1A2CYP3A4
SCHEMBL3317224 0.62 ALDH1A1 (0.50) ALDH1A1RXFP1

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 11 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
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
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
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

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 APEX1 4202/4885TGFBR1 3765/4885LMNA 4285/4885
US-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 APEX1 4125/4885TGFBR1 1/4885LMNA 3045/4885
US-20060281763-A1 Carboxamide inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 APEX1 4746/4885TGFBR1 1/4885LMNA 2701/4885

“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.