SCHEMBL21481476

SCHEMBL21481476

CN(C)C/C=C/C(=O)Nc1cccc(Oc2cccc(CN)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.47
▸ EGFR P00533 8/20 0.46
▸ BTK Q06187 4/20 0.46
▸ CTSC P53634 1/20 0.46
▸ ITK Q08881 5/20 0.45
▸ JAK3 P52333 3/20 0.45
▸ ERBB2 P04626 2/20 0.44
▸ CDK14 O94921 2/20 0.43
▸ CCNY Q8ND76 2/20 0.43
▸ ERBB4 Q15303 1/20 0.43
▸ PIP4K2A P48426 1/20 0.43
▸ PIP4K2B P78356 1/20 0.43
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL21481529 0.82 IRAK1 (0.55) ACKR3BTKCDK14CCNYPIP4K2A
SCHEMBL21481480 0.82 CDK14 (0.46) ACKR3EGFRBTKITKJAK3
SCHEMBL21481477 0.80 CTSC (0.64) EGFRBTKCTSCITK
SCHEMBL21344948 0.78 DHODH (0.56) ACKR3EGFRBTKITKJAK3
SCHEMBL16095303 0.77 EGFR (0.54) ACKR3EGFRBTKITKJAK3
SCHEMBL12518702 0.77 EGFR (0.54) ACKR3EGFRBTKITKJAK3
SCHEMBL16095361 0.76 MAOB (0.58) ACKR3EGFRBTKITKJAK3
SCHEMBL16095359 0.76 MAOB (0.58) ACKR3EGFRBTKITKJAK3
SCHEMBL16665163 0.76 ITK (0.64) ACKR3EGFRBTKITKJAK3
SCHEMBL31069490 0.75 PARP1 (0.65) EGFRBTKITKJAK3ERBB2

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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 — — US disclosed
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES LEAD DISCOVERY CENTER GMBH (DE) 2021-05-13 — — US disclosed
WO-2019197546-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES QURIENT CO., LTD. (KR) 2019-10-17 — — WO 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-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 ACKR3 2216/4885EGFR 2944/4885BTK 528/4885
US-20210139483-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES IL5, THPO, TYMP ACKR3 837/4885EGFR 4412/4885BTK 2208/4885

“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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