SCHEMBL20164910

SCHEMBL20164910

Cc1cc(Nc2ncnc3ccc(NC4=NC(C)(C)CO4)cc23)ccc1Oc1cc2ncnn2cn1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.79
EGFR P00533 13/20 0.79
NQO2 P16083 1/20 0.79
FECH P22830 1/20 0.79
MYH14 Q7Z406 1/20 0.79
RIPK3 Q9Y572 1/20 0.79
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21272284 0.90 EGFR (0.65) ERBB2EGFRNQO2FECHMYH14
Tucatinib SCHEMBL29653672 0.88 ERBB2 (1.00) ERBB2EGFRNQO2FECHMYH14
Tucatinib SCHEMBL29351516 0.88 ERBB2 (1.00) ERBB2EGFRNQO2FECHMYH14
Tucatinib SCHEMBL1193050 0.88 ERBB2 (1.00) ERBB2EGFRNQO2FECHMYH14
Tucatinib SCHEMBL29351934 0.88 ERBB2 (1.00) ERBB2EGFRNQO2FECHMYH14
Tucatinib SCHEMBL29475609 0.88 ERBB2 (1.00) ERBB2EGFRNQO2FECHMYH14
SCHEMBL20629890 0.87 ERBB2 (0.66) ERBB2EGFRNQO2FECHMYH14
SCHEMBL20629639 0.87 EGFR (0.64) ERBB2EGFRNQO2FECHMYH14
SCHEMBL20629435 0.87 EGFR (0.64) ERBB2EGFRNQO2FECHMYH14
SCHEMBL20629889 0.84 ERBB2 (0.74) ERBB2EGFRNQO2FECHMYH14

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 9 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
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2020-11-10 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
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2019-03-28 US disclosed
WO-2019042409-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION, AND APPLICATION 上海医药集团股份有限公司 2019-03-07 WO disclosed
EP-3424928-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2019-01-09 EP disclosed
US-10143692-B2 Polymorphs of ARRY-380, a selective HER2 inhibitor and pharmaceutical compositions containing them ARRAY BIOPHARMA INC. (US) 2018-12-04 US disclosed
US-20180140603-A1 POLYMORPHS OF ARRY-380, A SELECTIVE HER2 INHIBITOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARRAY BIOPHARMA INC. (US) 2018-05-24 US 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 (6 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 ERBB2 1/4885EGFR 2/4885NQO2 1434/4885
US-10143692-B2 Polymorphs of ARRY-380, a selective HER2 inhibitor and pharmaceutical compositions containing them ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 5/4885NQO2 662/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885NQO2 1483/4885
US-20190091226-A1 NITROGENOUS HETEROCYCLIC COMPOUND, PREPARATION METHOD, INTERMEDIATE, COMPOSITION AND USE ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885NQO2 1250/4885
US-20180140603-A1 POLYMORPHS OF ARRY-380, A SELECTIVE HER2 INHIBITOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ERBB2, ERBB3, ERBB4 ERBB2 1/4885EGFR 5/4885NQO2 662/4885
US-10828305-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition and use ERBB2, EGFR, ERBB4 ERBB2 1/4885EGFR 2/4885NQO2 1250/4885

“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.