SCHEMBL29832366

SCHEMBL29832366

COc1cc(N2CCNCC2)ccc1Nc1ncc(C(F)(F)F)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 12/20 1.00
▸ ALK Q9UM73 7/20 0.80
▸ LRRK2 Q5S007 2/20 0.67
▸ GSK3A P49840 1/20 0.67
▸ MAPK15 Q8TD08 1/20 0.67
▸ CAMKK2 Q96RR4 1/20 0.67

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
SCHEMBL21846968 1.00 EGFR (1.00) EGFRALKLRRK2GSK3AMAPK15
SCHEMBL16752965 0.89 ALK (1.00) EGFRALK
SCHEMBL21846999 0.89 EGFR (1.00) EGFRALKLRRK2
SCHEMBL21847025 0.85 EGFR (1.00) EGFRALK
SCHEMBL26612049 0.85 ALK (0.75) EGFRALK
SCHEMBL16752944 0.83 ALK (1.00) ALK
SCHEMBL16752967 0.83 ALK (1.00) ALK
SCHEMBL21847004 0.82 EGFR (1.00) EGFRLRRK2
SCHEMBL30936860 0.82 EGFR (1.00) EGFRLRRK2
SCHEMBL17530379 0.82 ALK (0.82) EGFRALK

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-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-08-11 — — 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-20220249482-A1 N2,N4-DIPHENYLPYRIMIDINE-2,4-DIAMINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER FLT3, EGFR, ERBB2 EGFR 2/4885ALK 76/4885LRRK2 1340/4885

“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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