SCHEMBL2495662

SCHEMBL2495662

Oc1cccc(/C=C/c2ncon2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.53
▸ ABL1 P00519 1/20 0.45
▸ BCR P11274 1/20 0.45
▸ CCNB2 O95067 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCNB1 P14635 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCNB3 Q8WWL7 1/20 0.45
▸ PTGS2 P35354 2/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.43
▸ CYSLTR1 Q9Y271 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FBP1 P09467 1/20 0.41
▸ CHRNA4 P43681 2/20 0.40
▸ MAOA P21397 2/20 0.40

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
SCHEMBL2495665 1.00 LCK (0.53) LCKABL1BCRCCNB2CDK1
SCHEMBL11768941 0.81 CHAT (0.45) MEN1NPC1KMT2AFBP1MAOA
SCHEMBL11760399 0.81 CYP19A1 (0.53) KDM1ANPC1MAOAMAOB
SCHEMBL11763119 0.81 CHAT (0.45) MEN1NPC1KMT2AFBP1MAOA
SCHEMBL11760418 0.81 CYP19A1 (0.53) KDM1ANPC1MAOAMAOB
SCHEMBL11763100 0.80 APP (0.44) LCKABL1BCRPTGS2PTGS1
SCHEMBL11763104 0.80 APP (0.44) LCKABL1BCRPTGS2PTGS1
SCHEMBL9005539 0.79 CASP3 (0.46) MEN1NPC1KMT2AMAOAMAOB
SCHEMBL5442049 0.78 LCK (0.62) LCKABL1BCRCCNB2CDK1
SCHEMBL5442047 0.78 LCK (0.62) LCKABL1BCRCCNB2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
CN-102316733-B Heterocyclic compounds and methods of use GENENTECH INC 2014-01-01 — — CN disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
CN-102316733-A HETEROCYCLIC COMPOUNDS AND METHODS OF USE INST MEDICAL W & E HALL 2012-01-11 — — CN disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 — — EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 LCK 2819/4885ABL1 675/4885BCR 61/4885

“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.

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