SCHEMBL21110446

SCHEMBL21110446

COc1ccc(CNC(=O)c2cnc(Nc3cccc(OC)c3)nc2Nc2cccc(N)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.69
CNR2 P34972 4/20 0.63
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
SYK P43405 9/20 0.55
ITK Q08881 2/20 0.55
EGFR P00533 2/20 0.55
BLK P51451 1/20 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
SCHEMBL12518622 0.94 BTK (0.77) BTKCNR2MEN1ALDH1A1POLB
SCHEMBL12519590 0.89 CNR2 (0.60) BTKCNR2MEN1ALDH1A1POLB
SCHEMBL14771995 0.88 CNR2 (0.61) BTKCNR2MEN1ALDH1A1POLB
SCHEMBL21110447 0.87 BTK (0.91) BTKCNR2ITKEGFR
SCHEMBL21110443 0.86 BTK (0.69) BTKCNR2MEN1ALDH1A1POLB
SCHEMBL14769194 0.84 BTK (0.62) BTKCNR2EGFRBLK
SCHEMBL13498134 0.84 ITK (0.62) BTKMEN1MAPTKMT2ASYK
SCHEMBL14791272 0.84 CNR2 (0.58) BTKCNR2MEN1ALDH1A1POLB
SCHEMBL14769211 0.83 CNR2 (0.60) BTKCNR2MEN1ALDH1A1POLB
SCHEMBL12519472 0.82 BTK (1.00) BTKITKEGFR

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-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-06-27 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 (3 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-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885CNR2 2355/4885MEN1 3174/4885
US-20190192512-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 BTK 594/4885CNR2 238/4885MEN1 606/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK BTK 261/4885CNR2 2355/4885MEN1 3174/4885

“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.