SCHEMBL1229660

SCHEMBL1229660

O=C(NCCc1ccccc1)c1sccc1Nc1ncnc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.55
RET P07949 1/20 0.49
EGFR P00533 3/20 0.47
AURKB Q96GD4 3/20 0.47
INCENP Q9NQS7 1/20 0.46
TTBK1 Q5TCY1 8/20 0.46
TTBK2 Q6IQ55 8/20 0.46
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1231761 0.90 TTBK1 (0.48) BTKRETEGFRAURKBTTBK1
SCHEMBL1230583 0.90 TTBK1 (0.46) BTKRETEGFRAURKBINCENP
SCHEMBL1229602 0.90 RET (0.58) BTKRETEGFRAURKBINCENP
SCHEMBL1229719 0.90 RET (0.52) BTKRETEGFRAURKBINCENP
SCHEMBL1229698 0.89 BTK (0.53) BTKRETEGFRAURKBINCENP
SCHEMBL1231369 0.89 BTK (0.53) BTKRETTTBK1TTBK2NPC1
SCHEMBL1231348 0.87 NPC1 (0.46) BTKRETEGFRAURKBINCENP
SCHEMBL19390620 0.85 RAB9A (0.43) BTKJAK2JAK1TYK2NPC1
SCHEMBL1231324 0.85 TTBK1 (0.45) EGFRAURKBINCENPTTBK1TTBK2
SCHEMBL19371939 0.85 BTK (0.54) BTKRETEGFRAURKBINCENP

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
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
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
WO-2011017009-A1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2011-02-10 WO claimed
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
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
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 US 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 BTK 1704/4885RET 462/4885EGFR 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.