SCHEMBL6979822

SCHEMBL6979822

Cc1nc2cc(Nc3ccnc(Cl)n3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
KDR P35968 6/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPKAPK2 P49137 2/20 0.40
ROCK2 O75116 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
TERT O14746 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
ROCK1 Q13464 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
EGFR P00533 1/20 0.37
TNIK Q9UKE5 1/20 0.36
BRD4 O60885 1/20 0.36
IGF1R P08069 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
SCHEMBL6979830 0.90 ALDH1A1 (0.50) SYKKDRALDH1A1MAPKAPK2TERT
SCHEMBL15466083 0.83 DOT1L (0.43) ALDH1A1ROCK2TERTDOT1L
SCHEMBL879559 0.80 ROCK2 (0.52) SYKKDRALDH1A1MAPKAPK2ROCK2
SCHEMBL3459248 0.78 IGF1R (0.46) SYKKDRMAPKAPK2ROCK2AURKA
SCHEMBL2598750 0.78 MEN1 (0.43) KDRMAPKAPK2TERTDOT1L
SCHEMBL12612817 0.77 ROCK2 (0.55) SYKKDRMAPKAPK2ROCK2AURKA
SCHEMBL13485393 0.76 KDM4E (0.44) KDRALDH1A1TERTDOT1LHTR3E
SCHEMBL6312915 0.76 IGF1R (0.52) SYKKDRALDH1A1MAPKAPK2AURKA
SCHEMBL20611795 0.75 MAPKAPK2 (0.50) KDRMAPKAPK2
SCHEMBL12776139 0.75 KDR (0.60) SYKKDRMAPKAPK2TERTDOT1L

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
EP-2688883-B1 PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2016-05-18 EP disclosed
EP-2688883-B1 PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2016-05-18 EP disclosed
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
EP-2571867-B1 NOVEL PYRIMIDINE DERIVATIVES NOVIGA RES AB (SE) 2015-11-04 EP disclosed
US-9006241-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-04-14 US disclosed
US-9006241-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-04-14 US disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-8927547-B2 Pyrimidine derivatives NOVIGA RESEARCH AB (SE) 2015-01-06 US disclosed
US-20140045845-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2014-02-13 US disclosed
US-20140045845-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2014-02-13 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2013-04-11 US disclosed
EP-2502924-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2012-09-26 EP disclosed
EP-0862560-B1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 2003-04-02 EP disclosed
US-6235746-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATIVE AGENT CELLTECH THERAPEUTICS, LIMITED (GB) 2001-05-22 US disclosed
US-5958935-A Substituted 2-anilinopyrimidines useful as protein kinase inhibitors CELLTECH THERAPEUTICS LIMITED (GB) 1999-09-28 US disclosed
EP-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 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-20140045845-A1 NOVEL PYRIMIDINE DERIVATIVES TYMS, DPYD, TYMP SYK 2886/4885KDR 2073/4885ALDH1A1 419/4885
US-20130089518-A1 NOVEL PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP SYK 3374/4885KDR 1568/4885ALDH1A1 624/4885

“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.