SCHEMBL26697694

SCHEMBL26697694

Cc1cc(N)ccc1Oc1ccn2nccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
DRD1 P21728 2/20 0.36
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
ERBB2 P04626 3/20 0.33
EGFR P00533 2/20 0.33
NQO2 P16083 1/20 0.33
FECH P22830 1/20 0.33
MYH14 Q7Z406 1/20 0.33
RIPK3 Q9Y572 1/20 0.33

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
SCHEMBL30770141 1.00 SCN5A (0.36) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL3484150 0.84 DRD2 (0.38) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL21563126 0.82 EGFR (0.42) SCN5ADRD2DRD4DRD3DRD1
SCHEMBL1192195 0.77 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL29414877 0.77 ERBB2 (0.48) ERBB2EGFRNQO2FECHMYH14
SCHEMBL24996642 0.75 ALDH1A1 (0.33) SCN5AHTR2AALDH1A1KDM4ELMNA
SCHEMBL31357432 0.75 ALDH1A1 (0.33) SCN5AHTR2AALDH1A1KDM4ELMNA
SCHEMBL24569902 0.75 ERBB2 (0.33) HTR2AALDH1A1KDM4ELMNAMAPT
SCHEMBL30127363 0.75 KDM4E (0.33) HTR2AALDH1A1KDM4ELMNAMAPT
SCHEMBL2997554 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
US-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations NUVALENT, INC. (US) 2024-07-16 US disclosed
EP-4323356-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS Nuvalent, Inc. (US) 2024-02-21 EP disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A9 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2023-11-30 WO disclosed
WO-2022221227-A1 AMINO-SUBSTITUTED HETEROCYCLES FOR TREATING CANCERS WITH EGFR MUTATIONS NUVALENT, INC. (US) 2022-10-20 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-12037346-B2 Amino-substituted heteroaryls for treating cancers with EGFR mutations EGFR, ERBB2, ERBB3 SCN5A 2456/4885DRD2 4326/4885DRD4 4369/4885

“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.