SCHEMBL26104137

SCHEMBL26104137

N#Cc1cnc(Cl)nc1NC12CC(C1)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK1A1 P48729 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ PIN1 Q13526 1/20 0.38
▸ PRKCQ Q04759 7/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ MAPK8 P45983 3/20 0.32
▸ MAPK9 P45984 2/20 0.32
▸ AURKA O14965 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GABBR2 O75899 1/20 0.30
▸ GABBR1 Q9UBS5 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL30041499 1.00 CSNK1A1 (0.45) CSNK1A1CLK4PIN1PRKCQKMT2A
SCHEMBL30801506 0.79 KDM4E (0.38) PRKCQKMT2AMAPK8MAPK9AURKA
SCHEMBL13736418 0.79 KDM4E (0.38) PRKCQKMT2AMAPK8MAPK9AURKA
SCHEMBL26100830 0.78 CSNK1A1 (0.41) CSNK1A1CLK4PIN1KMT2AALDH1A1
SCHEMBL29943928 0.78 CSNK1A1 (0.41) CSNK1A1CLK4PIN1KMT2AALDH1A1
SCHEMBL12985293 0.77 GSK3A (0.41) KMT2AMAPK8MAPK9GABBR2GABBR1
SCHEMBL29943664 0.77 CSNK1A1 (0.40) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL26103054 0.77 CSNK1A1 (0.40) CSNK1A1CLK4PIN1ALDH1A1L3MBTL1
SCHEMBL24267966 0.76 MAPK8 (0.32) MAPK8
SCHEMBL30041073 0.76 CYP1A2 (0.33) PRKCQKMT2AMAPK8MAPK9ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137932-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-05-04 — — US disclosed
US-20230137932-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-05-04 — — US disclosed
US-20230137932-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-05-04 — — US disclosed
EP-4087571-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 Dana-Farber Cancer Institute, Inc. (US) 2022-11-16 — — EP 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-20230137932-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 ERBB2, EGFR, ERBB3 CSNK1A1 139/4885CLK4 643/4885PIN1 1145/4885

“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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