SCHEMBL19556857

SCHEMBL19556857

CC(=O)Nc1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 15/20 1.00
BCR P11274 13/20 1.00
PDGFRA P16234 10/20 1.00
PDGFRB P09619 6/20 1.00
PRKCA P17252 3/20 0.78
EGFR P00533 2/20 0.78
JAK3 P52333 1/20 0.78
BTK Q06187 1/20 0.78
ITK Q08881 1/20 0.78
KIT P10721 3/20 0.70

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
SCHEMBL4803395 0.93 PDGFRA (0.87) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL23246300 0.93 ABL1 (0.86) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL4801110 0.92 ABL1 (0.84) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL1927373 0.90 ABL1 (0.82) ABL1BCRPDGFRAPDGFRBPRKCA
Cyclohexane SCHEMBL5776157 0.90 ABL1 (0.81) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL19556647 0.89 ABL1 (0.80) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL2004455 0.89 PDGFRA (0.91) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL29366684 0.89 ABL1 (0.83) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL28677768 0.89 ABL1 (0.83) ABL1BCRPDGFRAPDGFRBPRKCA
SCHEMBL4897200 0.89 PDGFRA (0.88) ABL1BCRPDGFRAPDGFRBPRKCA

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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 US disclosed
US-9809603-B1 Deuterium-enriched isoindolinonyl-piperidinonyl conjugates and oxoquinazolin-3(4H)-yl-piperidinonyl conjugates and methods of treating medical disorders using same DEUTERX, LLC (US) 2017-11-07 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 (2 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-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 ABL1 1/4885BCR 782/4885PDGFRA 362/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ABL1 49/4885BCR 2095/4885PDGFRA 2240/4885

“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.