SCHEMBL3838487

SCHEMBL3838487

CC(C)(C)c1cnc(-c2cc(Cl)ccc2F)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.36
SLC22A1 O15245 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
TGFBR1 P36897 2/20 0.36
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AURKA O14965 1/20 0.34
HTR2B P41595 1/20 0.31
CCR9 P51686 1/20 0.31
FGFR4 P22455 1/20 0.31
HSD11B1 P28845 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
SCHEMBL3838556 0.78 TGFBR1 (0.47) PDE4DSLC22A1ABCB11CYP3A4DRD3
SCHEMBL8346113 0.77 PIM1 (0.38) PDE4DCYP3A4TGFBR1PRKD3PRKD1
SCHEMBL8344312 0.77 MAPT (0.46) TGFBR1FGFR4
SCHEMBL8347937 0.77 TGFBR1 (0.36) PDE4DSLC22A1ABCB11CYP3A4DRD3
SCHEMBL8347188 0.72 TGFBR1 (0.43) PDE4DSLC22A1ABCB11CYP3A4DRD3
SCHEMBL3841207 0.72 NR1I2 (0.41) CYP3A4TGFBR1HDAC3HDAC1HDAC2
SCHEMBL2596874 0.72 DPP4 (0.39) PDE4DSLC22A1ABCB11CYP3A4DRD3
SCHEMBL16424417 0.72 TGFBR1 (0.37) PDE4DSLC22A1ABCB11CYP3A4DRD3
SCHEMBL8344354 0.71 TGFBR1 (0.56) TGFBR1
SCHEMBL3824178 0.70 TGFBR1 (0.40) 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 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 PDE4D 1071/4885SLC22A1 4519/4885ABCB11 4334/4885
US-20040132730-A1 Inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 PDE4D 2922/4885SLC22A1 2618/4885ABCB11 3758/4885
US-20060281763-A1 Carboxamide inhibitors of TGFbeta TGFBR1, TGFBR2, TGFB1 PDE4D 825/4885SLC22A1 3397/4885ABCB11 4690/4885

“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.