SCHEMBL3625448

SCHEMBL3625448

CN(C)CCn1ccc2c(-c3ccnc(Nc4cccc(Cl)c4)n3)cccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.57
▸ ABL1 P00519 2/20 0.53
▸ BCR P11274 2/20 0.53
▸ PRKCA P17252 2/20 0.53
▸ PRKCD Q05655 2/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ SRC P12931 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ PRKACA P17612 1/20 0.53
▸ PRKACG P22612 1/20 0.53
▸ PRKACB P22694 1/20 0.53
▸ GSK3B P49841 2/20 0.49
▸ CDK2 P24941 3/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CB P42338 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ CDK4 P11802 1/20 0.46
▸ CAMK2D Q13557 1/20 0.46
▸ EIF2AK2 P19525 2/20 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
SCHEMBL3620948 0.94 EGFR (0.56) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3621350 0.88 ABL1 (0.54) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3613177 0.87 ABL1 (0.62) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3619252 0.87 ABL1 (0.56) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3615039 0.87 ABL1 (0.55) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3622145 0.86 EGFR (0.57) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3615744 0.86 ABL1 (0.58) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3607076 0.86 ABL1 (0.70) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3624563 0.84 EGFR (0.49) EGFRABL1BCRPRKCAPRKCD
SCHEMBL3610830 0.84 ABL1 (0.54) EGFRABL1BCRPRKCAPRKCD

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 EGFR 4114/4885ABL1 3215/4885BCR 3115/4885

“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.

Send feedback