SCHEMBL31236710

SCHEMBL31236710

[2H]C([2H])([2H])c1ccc(C#N)nc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.41
ADORA1 P30542 4/20 0.40
ADORA2A P29274 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
MET P08581 2/20 0.39
CHUK O15111 1/20 0.38
ADORA2B P29275 2/20 0.37
MAPK14 Q16539 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
HPGD P15428 1/20 0.35
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
SQOR Q9Y6N5 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1259949 0.89 ALDH1A1 (0.44) ERBB2ADORA1ADORA2AALDH1A1LMNA
SCHEMBL25778814 0.72 ERBB2 (0.41) ERBB2ADORA1ADORA2AALDH1A1LMNA
SCHEMBL16834835 0.72 CYP1A2 (0.39) ERBB2ADORA1ADORA2AALDH1A1LMNA
SCHEMBL2974448 0.71 CHEK1 (0.49) ERBB2ADORA1ADORA2AALDH1A1ADORA2B
SCHEMBL1259535 0.71 ADORA1 (0.49) ADORA1ADORA2ACHUKADORA2BKDM4E
SCHEMBL30405682 0.71 BCL2L1 (0.43) KDM4EALOX15
SCHEMBL23416424 0.70 MAPK14 (0.47) ERBB2ADORA1ADORA2AALDH1A1LMNA
SCHEMBL31236717 0.69 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL12496522 0.67 CHEK1 (0.49) ERBB2ALDH1A1METMEN1KMT2A
SCHEMBL3790714 0.67 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2AKDM4E

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-20250092033-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Avistone Biotechnology Co., Ltd. (CN) 2025-03-20 US disclosed
EP-4458818-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Avistone Biotechnology Co., Ltd. (CN) 2024-11-06 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-20250092033-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP19A1, WEE1, WEE2 ERBB2 2350/4885ADORA1 2062/4885ADORA2A 3417/4885

“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.