SCHEMBL1178613

SCHEMBL1178613

CCCOc1nc(C)cc(C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
PLA2G2A P14555 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
PDE10A Q9Y233 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL1179136 0.87 TSHR (0.46) LMNATDP1TSHRALOX15HIF1A
SCHEMBL12871090 0.80 MAPT (0.42) LMNATDP1TSHRKMT2AALDH1A1
SCHEMBL1179821 0.79 LMNA (0.41) LMNATDP1TSHRALOX15HIF1A
SCHEMBL1179070 0.78 LMNA (0.68) LMNATDP1TSHRALOX15HIF1A
SCHEMBL31069949 0.77 MCL1 (0.50) LMNATSHRKMT2AALDH1A1KDM4E
SCHEMBL16608783 0.74 LMNA (0.51) LMNATDP1TSHRKMT2AALDH1A1
SCHEMBL1179282 0.73 ALOX15 (0.47) LMNATDP1TSHRALOX15HIF1A
SCHEMBL20033628 0.70 HTT (0.44) LMNATDP1TSHRALOX15HIF1A
SCHEMBL1760306 0.69 KMO (0.49) LMNATDP1TSHRALOX15HIF1A
SCHEMBL1179023 0.69 LMNA (0.44) LMNATDP1TSHRALOX15HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
CN-101970430-B Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2013-05-08 CN disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-02-24 US disclosed
CN-101970430-A Novel pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-09 CN disclosed
CN-101965346-A Novel pyrimidine-pyridine derivatives ACTELION PHARMACEUTICALS LTD 2011-02-02 CN disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD LMNA 4595/4885TDP1 352/4885TSHR 3634/4885
US-20110046170-A1 NOVEL PYRIMIDINE-PYRIDINE DERIVATIVES TYMP, DPYD, ENTPD5 LMNA 4841/4885TDP1 698/4885TSHR 2962/4885

“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.