SCHEMBL2394051

SCHEMBL2394051

Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2cccnc2n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.72
PRKD3 O94806 1/20 0.72
PRKD1 Q15139 1/20 0.72
PRKD2 Q9BZL6 1/20 0.72
ABCG2 Q9UNQ0 15/20 0.55
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL14344386 0.91 PRKD3 (0.58) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL12261412 0.88 PRKD3 (0.56) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL14344388 0.88 PRKD3 (0.55) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL1064782 0.86 ABCG2 (0.59) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL29831976 0.86 ABCG2 (0.59) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL5555419 0.86 TGFBR1 (0.53) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL14344377 0.85 ABCG2 (0.59) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL2394048 0.84 ABCG2 (0.52) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL29381400 0.84 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2ABCG2
SCHEMBL29361383 0.84 TGFBR1 (1.00) TGFBR1PRKD3PRKD1PRKD2ABCG2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604685-B1 METHOD OF PRODUCING PANCREATIC HORMONE-PRODUCING CELLS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-15 EP disclosed
US-9157069-B2 Method of producing pancreatic hormone-producing cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
US-20130210060-A1 METHOD OF PRODUCING PANCREATIC HORMONE-PRODUCING CELLS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-15 US disclosed
EP-2604685-A1 METHOD OF PRODUCING PANCREATIC HORMONE-PRODUCING CELLS Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-8022077-B2 Pyrido[2,3-d]pyrimidines useful as HCV inhibitors, and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-09-20 US disclosed
US-8022077-B2 Pyrido[2,3-d]pyrimidines useful as HCV inhibitors, and methods for the preparation thereof TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-09-20 US disclosed
EP-1888580-B1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARM LTD (IE) 2010-03-03 EP disclosed
US-20090131460-A1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-05-21 US disclosed
EP-1888580-A2 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF Tibotec Pharmaceuticals Ltd. (IE) 2008-02-20 EP disclosed
US-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS, INC. 2007-12-20 US disclosed
US-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SCIOS, INC. 2007-12-20 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 US disclosed
US-7232824-B2 Quinazoline derivatives as medicaments SCIOS, INC. (US) 2007-06-19 US disclosed
WO-2006120252-A2 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF TIBOTEC PHARMACEUTICALS LTD. (IE) 2006-11-16 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-20090131460-A1 PYRIDO[2,3-D]PYRIMIDINES USEFUL AS HCV INHIBITORS, AND METHODS FOR THE PREPARATION THEREOF DPYD, TYMP, PNP TGFBR1 3996/4885PRKD3 1016/4885PRKD1 1577/4885
US-20070293500-A1 QUINAZOLINE DERIVATIVES AS MEDICAMENTS SMAD3, SMAD2, TGFB2 TGFBR1 8/4885PRKD3 1661/4885PRKD1 2216/4885

“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.