SCHEMBL19877993

SCHEMBL19877993

CC#CC(=O)N1CC[C@H](c2nc(-c3ccc(C(=O)Nc4ccccn4)cc3)n3c(N)nccc23)C1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.62
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
PTGS2 P35354 1/20 0.49
KDR P35968 1/20 0.49
TEC P42680 1/20 0.49
TXK P42681 1/20 0.49
BLK P51451 1/20 0.49
BMX P51813 1/20 0.49
JAK3 P52333 1/20 0.49
ITK Q08881 1/20 0.49
ERBB4 Q15303 1/20 0.49
GP6 Q9HCN6 1/20 0.49

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
SCHEMBL19877414 1.00 BTK (0.62) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL19877417 1.00 BTK (0.62) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL29628112 1.00 BTK (0.62) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL19877807 0.97 BTK (0.63) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL19877626 0.97 BTK (0.63) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL19877624 0.97 BTK (0.63) BTKEGFRERBB2ADORA3PTGS2
SCHEMBL19877777 0.91 BTK (0.55) BTK
SCHEMBL19877592 0.90 BTK (0.56) BTK
SCHEMBL19877763 0.90 BTK (0.50) BTK
SCHEMBL30167350 0.90 BTK (0.50) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US claimed
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 claimed
US-10544106-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-01-28 US claimed
EP-3497087-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Neupharma, Inc. (US) 2019-06-19 EP claimed
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2018-03-15 US claimed
WO-2018035061-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. (US) 2018-02-22 WO claimed
US-12018002-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2024-06-25 US 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
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
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
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 (5 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 BTK 172/4885EGFR 272/4885ERBB2 39/4885
US-10544106-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 BTK 172/4885EGFR 272/4885ERBB2 39/4885
US-12018002-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 BTK 172/4885EGFR 272/4885ERBB2 39/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 BTK 172/4885EGFR 272/4885ERBB2 39/4885
US-20180072688-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 BTK 172/4885EGFR 272/4885ERBB2 39/4885

“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.