SCHEMBL2881534

SCHEMBL2881534

Nc1ccc(Nc2ccnc3[nH]ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 13/20 0.54
TTBK2 Q6IQ55 13/20 0.54
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
ROCK1 Q13464 1/20 0.50
TNNI3K Q59H18 1/20 0.49
PRKCI P41743 2/20 0.46
AXL P30530 1/20 0.46
DNMT1 P26358 1/20 0.44

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
SCHEMBL858840 0.84 TTBK1 (0.59) TTBK1TTBK2AURKAROCK1TNNI3K
SCHEMBL858107 0.84 TTBK1 (0.51) TTBK1TTBK2AURKAAURKBROCK1
SCHEMBL858483 0.84 ROCK1 (0.57) TTBK1TTBK2AURKAAURKBROCK1
SCHEMBL857993 0.84 TTBK1 (0.59) TTBK1TTBK2AURKAAURKBROCK1
SCHEMBL858031 0.83 TNNI3K (0.58) TTBK1TTBK2AURKAAURKBROCK1
SCHEMBL857995 0.83 ROCK2 (0.50) TTBK1TTBK2AURKBROCK1TNNI3K
SCHEMBL858341 0.80 ROCK1 (0.50) TTBK1TTBK2AURKBROCK1TNNI3K
SCHEMBL857824 0.80 ROCK1 (0.50) TTBK1TTBK2AURKBROCK1TNNI3K
SCHEMBL857983 0.80 TTBK1 (0.62) TTBK1TTBK2AURKAROCK1TNNI3K
SCHEMBL858750 0.80 ROCK1 (0.50) TTBK1TTBK2AURKAAURKBROCK1

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
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
US-20100016307-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-1742945-B1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER SCHERING PHARMA AG (DE) 2009-12-30 EP disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 US disclosed
WO-2008049855-A2 7-AZAINDOLE DERIVATIVES AS C-MET KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-05-02 WO disclosed
EP-1742945-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES Bayer HealthCare AG (DE) 2007-01-17 EP disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 WO disclosed
WO-2005108397-A1 SUBSTITUTED PHENYLAMINO-PYRIMIDINES BAYER HEALTHCARE AG (DE) 2005-11-17 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 TTBK1 2982/4885TTBK2 2930/4885AURKA 2839/4885
US-20100016307-A1 NOVEL COMPOUNDS MET, HGF, HGFAC TTBK1 1193/4885TTBK2 1622/4885AURKA 3669/4885

“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.