SCHEMBL5442049

SCHEMBL5442049

Oc1cccc(C=Cc2ncccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.62
▸ KDM1A O60341 2/20 0.56
▸ CCNB2 O95067 1/20 0.52
▸ CDK1 P06493 1/20 0.52
▸ CDK4 P11802 1/20 0.52
▸ CCNB1 P14635 1/20 0.52
▸ CCND1 P24385 1/20 0.52
▸ CCNB3 Q8WWL7 1/20 0.52
▸ ABL1 P00519 1/20 0.51
▸ BCR P11274 1/20 0.51
▸ CYSLTR2 Q9NS75 1/20 0.49
▸ CYSLTR1 Q9Y271 1/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FBP1 P09467 1/20 0.47
▸ PTGS2 P35354 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL5442047 1.00 LCK (0.62) LCKKDM1ACCNB2CDK1CDK4
SCHEMBL2512334 0.83 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL2512336 0.83 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL13338339 0.83 LCK (0.86) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL9131383 0.81 KDM1A (0.61) LCKKDM1ACCNB2CDK1CDK4
SCHEMBL9126350 0.78 LCK (0.64) LCKKDM1ACCNB2CDK1CDK4
SCHEMBL9126344 0.78 LCK (0.64) LCKKDM1ACCNB2CDK1CDK4
SCHEMBL2495665 0.78 LCK (0.53) LCKKDM1ACCNB2CDK1CDK4
SCHEMBL2495662 0.78 LCK (0.53) LCKKDM1ACCNB2CDK1CDK4
SCHEMBL23754267 0.77 LCK (1.00) LCKKDM1ACCNB2CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 — — US 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-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR LCK 160/4885KDM1A 580/4885CCNB2 513/4885

“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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