SCHEMBL21451867

SCHEMBL21451867

Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)Nc1ccc(-c2cn(C)c(C(=O)Nc3ccccc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 4/20 0.42
SCN4A P35499 2/20 0.42
NAMPT P43490 1/20 0.41
SCN9A Q15858 1/20 0.41
PRKDC P78527 1/20 0.40
P2RY12 Q9H244 1/20 0.40
CYP17A1 P05093 3/20 0.39
P2RY14 Q15391 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
SREBF2 Q12772 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
TTK P33981 1/20 0.38
BCL2 P10415 1/20 0.38
BECN1 Q14457 1/20 0.38
DRD2 P14416 1/20 0.38
MDM2 Q00987 1/20 0.38
PSMB8 P28062 1/20 0.37

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
SCHEMBL21451631 0.92 NAMPT (0.47) SCN3ASCN4ANAMPTSCN9APRKDC
SCHEMBL2028022 0.90 PRKDC (0.43) SCN3ASCN4ANAMPTSCN9APRKDC
SCHEMBL20527262 0.87 P2RY12 (0.43) PRKDCP2RY12
SCHEMBL20086569 0.86 NAMPT (0.47) NAMPTPRKDCP2RY12CYP17A1DRD2
SCHEMBL21451881 0.85 CYP17A1 (0.44) NAMPTPRKDCP2RY12CYP17A1P2RY14
SCHEMBL2028684 0.81 CYP17A1 (0.47) SCN3ANAMPTSCN9APRKDCCYP17A1
SCHEMBL16710976 0.79 HDAC1 (0.39) NAMPTPRKDCP2RY12CYP17A1TTK
SCHEMBL14441974 0.79 ERBB2 (0.43) NAMPTP2RY12ACSS2
SCHEMBL3417386 0.79 ERBB2 (0.43) NAMPTP2RY12ACSS2
SCHEMBL19739304 0.79 CYP17A1 (0.44) NAMPTPRKDCP2RY12CYP17A1P2RY14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583857-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2026-03-24 US disclosed
US-20250011317-A1 ANTI-PROLIFERATIVE AGENTS PHEON THERAPEUTICS LTD (GB) 2025-01-09 US disclosed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines PHEON THERAPEUTICS LTD (GB) 2024-02-27 US disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
US-20230302142-A1 Cytotoxic Agents Pheon Therapeutics Ltd. (GB) 2023-09-28 US disclosed
EP-4188927-A1 CYTOTOXIC AGENTS Pheon Therapeutics Ltd (GB) 2023-06-07 EP disclosed
WO-2022023735-A1 CYTOTOXIC AGENTS FEMTOGENIX LIMITED (GB) 2022-02-03 WO disclosed
US-20210206763-A1 Anti-Proliferative Agents PHEON THERAPEUTICS LTD (GB) 2021-07-08 US disclosed
US-10975072-B2 Substituted 6a,7,8,9,10,12-hexahydrobenzo[e]pyrido[1,2-a][1,4]diazepines as anti-proliferative agents FEMTOGENIX LIMITED 2021-04-13 US disclosed
US-10975074-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines FEMTOGENIX LIMITED 2021-04-13 US disclosed
US-20190308970-A1 ANTI-LIFERATIVE AGENTS COMPRISING SUBSTITUTED PYRROLO-, INDOLINO- OR TETRAHYDROISOQUINOLINE-BENZODIAZEPINES PHEON THERAPEUTICS LTD (GB) 2019-10-10 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 (8 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-20210206763-A1 Anti-Proliferative Agents CCND2, BRD2, DRD2 SCN3A 2802/4885SCN4A 2120/4885NAMPT 3086/4885
US-10975074-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines CNR1, GABRA1, BAK1 SCN3A 1341/4885SCN4A 1196/4885NAMPT 1711/4885
US-12583857-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines CNR1, MTNR1B, MTNR1A SCN3A 676/4885SCN4A 840/4885NAMPT 3466/4885
US-20250011317-A1 ANTI-PROLIFERATIVE AGENTS CCND2, BRD2, CCND3 SCN3A 2976/4885SCN4A 2661/4885NAMPT 3065/4885
US-10975072-B2 Substituted 6a,7,8,9,10,12-hexahydrobenzo[e]pyrido[1,2-a][1,4]diazepines as anti-proliferative agents PDCD1, CCND1, PDCD6 SCN3A 3122/4885SCN4A 2676/4885NAMPT 3492/4885
US-20190308970-A1 ANTI-LIFERATIVE AGENTS COMPRISING SUBSTITUTED PYRROLO-, INDOLINO- OR TETRAHYDROISOQUINOLINE-BENZODIAZEPINES GABRA1, GABBR1, GABRA2 SCN3A 879/4885SCN4A 1329/4885NAMPT 2009/4885
US-20230302142-A1 Cytotoxic Agents ANXA11, ANXA5, HAX1 SCN3A 2885/4885SCN4A 1758/4885NAMPT 4507/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 SCN3A 3582/4885SCN4A 1748/4885NAMPT 2252/4885

“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.