Sugi Predict

Sugi Predict / Compounds / SCHEMBL19877832

SCHEMBL19877832

SCHEMBL19877832

COc1ccc(Br)c(C#N)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ USP2 O75604 1/20 0.44
▸ PRKCZ Q05513 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ ADORA1 P30542 4/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL21823716 0.83 LMNA (0.39) KDM4EALDH1A1USP2PRKCZHPGD
SCHEMBL5277144 0.79 LMNA (0.42) KDM4EALDH1A1USP2MAPTADORA1
SCHEMBL17929423 0.78 PIM1 (0.39) KDM4EALDH1A1USP2PRKCZHPGD
SCHEMBL21823694 0.78 ERN1 (0.50) KDM4EALDH1A1USP2HPGDMAPT
SCHEMBL27901280 0.78 KDM4E (0.44) KDM4EALDH1A1USP2PRKCZHPGD
SCHEMBL3986261 0.78 KDM4E (0.44) KDM4EALDH1A1USP2PRKCZHPGD
SCHEMBL2497019 0.76 MAPT (0.48) KDM4EALDH1A1NPSR1MAPTL3MBTL1
SCHEMBL2729149 0.76 LMNA (0.42) KDM4EALDH1A1USP2PRKCZHPGD
SCHEMBL21808034 0.74 ALDH1A1 (0.44) KDM4EALDH1A1USP2PRKCZHPGD
SCHEMBL14782648 0.74 MAPT (0.41) KDM4EALDH1A1USP2PRKCZHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 — — US disclosed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 — — EP disclosed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 — — EP disclosed
CN-109843858-B Certain chemical entities, compositions and methods 润新生物公司 2023-05-05 — — CN disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 — — US disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 — — EP disclosed
EP-4006035-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER Neupharma, Inc. (US) 2022-06-01 — — EP disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 — — US disclosed
EP-3497087-B1 PYRROLO[1,2-C]PYRIMIDINE, IMIDAZO[1,5-C]PYRIMIDINE, QUINAZOLINE, PURINE AND IMIDAZO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2021-11-10 — — EP disclosed
EP-3497087-B1 PYRROLO[1,2-C]PYRIMIDINE, IMIDAZO[1,5-C]PYRIMIDINE, QUINAZOLINE, PURINE AND IMIDAZO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2021-11-10 — — EP disclosed
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-06-04 — — US disclosed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 — — US disclosed
EP-3497087-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2019-06-19 — — EP disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 — — US disclosed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 — — US disclosed
WO-2018035061-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2018-02-22 — — WO disclosed
WO-2018035061-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2018-02-22 — — 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 (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-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 KDM4E 1696/4885ALDH1A1 1767/4885USP2 2339/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 KDM4E 1696/4885ALDH1A1 1767/4885USP2 2339/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 KDM4E 1696/4885ALDH1A1 1767/4885USP2 2339/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 KDM4E 1696/4885ALDH1A1 1767/4885USP2 2339/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 KDM4E 1696/4885ALDH1A1 1767/4885USP2 2339/4885
US-20200172495-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 KDM4E 1696/4885ALDH1A1 1767/4885USP2 2339/4885

“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.