SCHEMBL3619252

SCHEMBL3619252

OCCn1ccc2c(-c3ccnc(Nc4cccc(Cl)c4)n3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.56
▸ BCR P11274 2/20 0.56
▸ PRKCA P17252 2/20 0.56
▸ PRKCD Q05655 2/20 0.56
▸ EGFR P00533 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ SRC P12931 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ PRKACA P17612 1/20 0.56
▸ PRKACG P22612 1/20 0.56
▸ PRKACB P22694 1/20 0.56
▸ CDK2 P24941 6/20 0.51
▸ CDK4 P11802 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ XBP1 P17861 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CDK5 Q00535 2/20 0.51

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
SCHEMBL3615744 0.94 ABL1 (0.58) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3613177 0.90 ABL1 (0.62) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3621350 0.88 ABL1 (0.54) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3607076 0.88 ABL1 (0.70) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3246006 0.88 CDK2 (0.51) ABL1BCRPRKCAPRKCDCDK2
SCHEMBL3615039 0.88 ABL1 (0.55) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3625448 0.87 EGFR (0.57) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3622145 0.87 EGFR (0.57) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3617043 0.86 CAMK2D (0.54) ABL1BCRPRKCAPRKCDEGFR
SCHEMBL3620736 0.86 CCNT1 (0.52) ABL1BCRPRKCAPRKCDEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 — — US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 — — US disclosed
US-20100093776-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-04-15 — — 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-20100093776-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ABL1 3215/4885BCR 3115/4885PRKCA 4612/4885

“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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