SCHEMBL879565

SCHEMBL879565

Cc1cc2cc(Nc3nc(Cl)ncc3C)ccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.51
▸ KDR P35968 3/20 0.46
▸ FLT1 P17948 1/20 0.46
▸ CDK1 P06493 1/20 0.44
▸ SYK P43405 1/20 0.43
▸ MAOA P21397 3/20 0.43
▸ MAOB P27338 3/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ KEAP1 Q14145 1/20 0.42
▸ VCP P55072 4/20 0.41
▸ PRKCQ Q04759 2/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ JAK1 P23458 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ ROCK2 O75116 1/20 0.39

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
SCHEMBL3458617 0.87 EGFR (0.49) EGFRKDRFLT1CDK1SYK
SCHEMBL12612614 0.82 PIN1 (0.58) EGFRKDRFLT1CDK1SYK
SCHEMBL15639737 0.82 MKNK1 (0.55) EGFRKDRFLT1PRKCQJAK3
SCHEMBL264886 0.77 GRM4 (0.48) EGFRSYKJAK1MEN1KMT2A
SCHEMBL30306442 0.77 STK17A (0.53) EGFRSYKMEN1KMT2AAURKA
SCHEMBL265799 0.77 STK17A (0.53) EGFRSYKMEN1KMT2AAURKA
SCHEMBL879559 0.77 ROCK2 (0.52) EGFRKDRFLT1CDK1SYK
SCHEMBL340018 0.77 JAK1 (0.61) SYKJAK1JAK3
SCHEMBL26394814 0.76 PDGFRB (0.56) KDRSYKMEN1KMT2A
SCHEMBL12277575 0.75 AURKA (0.51) EGFRSYKMEN1KMT2AAURKA

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 10 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
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
EP-2502924-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2012-09-26 — — EP disclosed
EP-2433636-A1 Treatment of Malignant Diseases Medizinische Universität Wien (AT) 2012-03-28 — — 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 EGFR 2266/4885KDR 2073/4885FLT1 556/4885

“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.

Send feedback