SCHEMBL22076868

SCHEMBL22076868

Cc1cc(Nc2ncnc3ccc(NC(=O)/C=C/c4cccn4C)cc23)ccc1Oc1cnc2ccnn2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.59
ERBB2 P04626 11/20 0.59
FECH P22830 2/20 0.44
NQO2 P16083 1/20 0.44
MYH14 Q7Z406 1/20 0.44
RIPK3 Q9Y572 1/20 0.44
CDK8 P49336 1/20 0.42
MAP2K5 Q13163 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
MKNK2 Q9HBH9 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
SCHEMBL20780923 0.86 EGFR (0.60) EGFRERBB2
SCHEMBL22076924 0.86 EGFR (0.59) EGFRERBB2
SCHEMBL22076922 0.84 EGFR (0.51) EGFRERBB2
SCHEMBL29025859 0.83 EGFR (0.84) EGFRERBB2
SCHEMBL20780911 0.83 EGFR (0.84) EGFRERBB2
SCHEMBL22076912 0.82 EGFR (0.61) EGFRERBB2FECHNQO2MYH14
SCHEMBL22076856 0.82 EGFR (0.47) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL22076917 0.82 EGFR (0.60) EGFRERBB2
SCHEMBL22076859 0.81 EGFR (0.48) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL30137761 0.78 EGFR (0.43) EGFRERBB2

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-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 US disclosed
EP-3677583-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2020-07-08 EP disclosed
US-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-06-18 US disclosed
CN-109422755-A A kind of nitrogen-containing heterocycle compound, preparation method, intermediate, composition and application 上海医药集团股份有限公司 2019-03-05 CN 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 (2 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-20200190091-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885FECH 4368/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 EGFR 2/4885ERBB2 1/4885FECH 4387/4885

“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.