SCHEMBL1230845

SCHEMBL1230845

O=C(O)c1sccc1Nc1ncnc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 11/20 0.51
TTBK2 Q6IQ55 11/20 0.51
EGFR P00533 2/20 0.49
AURKB Q96GD4 2/20 0.49
INCENP Q9NQS7 1/20 0.48
AKT1 P31749 1/20 0.47
TNNI3K Q59H18 1/20 0.46

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
SCHEMBL1230817 0.86 TTBK1 (0.54) TTBK1TTBK2TNNI3K
SCHEMBL27968936 0.84 EGFR (0.45) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1229602 0.82 RET (0.58) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1231324 0.81 TTBK1 (0.45) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1229660 0.81 BTK (0.55) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1229680 0.81 JAK2 (0.44) AURKBAKT1TNNI3K
SCHEMBL1231261 0.80 TNNI3K (0.47) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1229719 0.78 RET (0.52) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1230583 0.77 TTBK1 (0.46) TTBK1TTBK2EGFRAURKBINCENP
SCHEMBL1231761 0.77 TTBK1 (0.48) TTBK1TTBK2EGFRAURKBTNNI3K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP claimed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US claimed
CN-102471338-B Novel azaheterocyclic compounds MERCK PATENT GMBH 2014-07-02 CN claimed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US claimed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
CN-102471338-B Novel azaheterocyclic compounds MERCK PATENT GMBH 2014-07-02 CN disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
EP-2462141-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS Merck Patent GmbH (DE) 2012-06-13 EP disclosed
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 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 (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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC TTBK1 1515/4885TTBK2 1662/4885EGFR 533/4885

“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.