SCHEMBL12520573

SCHEMBL12520573

Clc1nccc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.47
APP P05067 1/20 0.46
EGFR P00533 2/20 0.45
CMA1 P23946 1/20 0.44
AHR P35869 1/20 0.44
ESR1 P03372 1/20 0.43
RET P07949 1/20 0.42
KDR P35968 2/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MAPKAPK2 P49137 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
TGFBR1 P36897 1/20 0.38
PYGL P06737 1/20 0.38
BTK Q06187 1/20 0.37

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
SCHEMBL10049851 0.89 EGFR (0.53) SYKEGFRAHRKDRMAPKAPK2
SCHEMBL30138092 0.89 EGFR (0.53) SYKEGFRAHRKDRMAPKAPK2
SCHEMBL12968742 0.83 MAPKAPK2 (0.58) SYKEGFRHTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL12821383 0.82 MAPKAPK2 (0.56) SYKEGFRHTR3EHTR3BHTR3A
SCHEMBL6317977 0.79 IGF1R (0.57)
SCHEMBL31351683 0.79 CYP1A2 (0.51) EGFRKDRHTR3EHTR3BHTR3A
SCHEMBL31351678 0.79 CYP1A2 (0.51) EGFRKDRHTR3EHTR3BHTR3A
SCHEMBL12612817 0.78 ROCK2 (0.55) SYKEGFRKDRHTR3EHTR3B
SCHEMBL12128995 0.77 APP (0.67) SYKAPPEGFRCMA1AHR
SCHEMBL22803664 0.77 SYK (0.50) SYKAPPEGFRCMA1AHR

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 12 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
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
CN-103619835-A Novel pyrimidine derivatives CHEMILIA AB 2014-03-05 CN 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
EP-2688883-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2014-01-29 EP disclosed
WO-2012127032-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2012-09-27 WO disclosed
WO-2012127032-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2012-09-27 WO disclosed
EP-2502924-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2012-09-26 EP disclosed
EP-2502924-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2012-09-26 EP 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 (1 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 2886/4885APP 4085/4885EGFR 2266/4885

“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.