SCHEMBL26110894

SCHEMBL26110894

COC(=O)c1cc2n(c1)CCNC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PIM1 P11309 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM5C P41229 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM2A Q9Y2K7 1/20 0.37
▸ KDM3A Q9Y4C1 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ JMJD6 Q6NYC1 1/20 0.36
▸ PIM2 Q9P1W9 6/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL2524424 0.85 PLK4 (0.43) PARP1ALDH1A1GAAPIM1KDM4E
SCHEMBL12284176 0.81 ALDH1A1 (0.50) PARP1ALDH1A1GAAPIM1MAPK1
SCHEMBL12284383 0.81 ALDH1A1 (0.46) PARP1ALDH1A1GAAPIM1MAPK1
SCHEMBL2521094 0.77 RPS6KA3 (0.43) ALDH1A1SMN1; SMN2PIM1KDM4EMAPK1
SCHEMBL26109573 0.75 SMN1; SMN2 (0.41) ALDH1A1GAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL12241454 0.74 ALDH1A1 (0.56) PARP1ALDH1A1GAAPIM1KDM4E
SCHEMBL22572296 0.72 SRD5A1 (0.38) ALDH1A1GAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL26085567 0.70 SRD5A1 (0.37) ALDH1A1GAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL12219882 0.70 ALDH1A1 (0.51) PARP1ALDH1A1GAACYP2D6PIM1
SCHEMBL22716058 0.70 CDC7 (0.49) PARP1ALDH1A1GAASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2025-07-10 — — US disclosed
EP-4504730-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 Dana-Farber Cancer Institute, Inc. (US) 2025-02-12 — — EP disclosed
CN-119365454-A Discovery of covalent EGFR inhibitors through cysteine 775 丹娜-法伯癌症研究院 2025-01-24 — — CN disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 — — WO disclosed
WO-2023196409-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-12 — — 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 (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-20250221998-A1 DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 EGFR, ERBB2, ERBB3 PARP1 2212/4885ALDH1A1 2954/4885GAA 2354/4885

“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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