SCHEMBL26101728

SCHEMBL26101728

Cc1cccc(Nc2nc(Cl)ncc2C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.57
SYK P43405 1/20 0.54
NFKB1 P19838 1/20 0.50
KMT2A Q03164 1/20 0.48
ERBB2 P04626 2/20 0.47
AURKA O14965 2/20 0.47
PLK1 P53350 1/20 0.44
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FER P16591 1/20 0.43
POLB P06746 1/20 0.43
STK4 Q13043 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL30041532 1.00 EGFR (0.57) EGFRSYKNFKB1KMT2AERBB2
SCHEMBL21596304 0.83 PIN1 (0.55) EGFRSYKNFKB1KMT2AAURKA
SCHEMBL30379431 0.83 PIN1 (0.55) EGFRSYKNFKB1KMT2AAURKA
SCHEMBL9945499 0.82 EGFR (0.64) EGFRSYKNFKB1AURKALMNA
SCHEMBL9945497 0.82 EGFR (0.64) EGFRNFKB1AURKALMNAPOLB
SCHEMBL30394764 0.82 EGFR (0.64) EGFRNFKB1AURKALMNAPOLB
SCHEMBL2300114 0.80 SYK (0.50) EGFRSYKERBB2
SCHEMBL12518356 0.80 AURKA (0.72) EGFRSYKNFKB1AURKAFER
SCHEMBL13606356 0.80 EGFR (0.61) EGFRSYKNFKB1AURKAPOLB
SCHEMBL19958510 0.80 EGFR (0.61) EGFRSYKNFKB1ERBB2AURKA

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 2 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
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 EGFR 2/4885SYK 472/4885NFKB1 3171/4885

“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.