SCHEMBL21451882

SCHEMBL21451882

Cn1cc(N)cc1C(=O)Nc1ccc(-c2cc(C(=O)Nc3ccccc3)n(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KDM1A O60341 3/20 0.44
▸ RCOR1 Q9UKL0 3/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SETD7 Q8WTS6 1/20 0.41
▸ PRMT1 Q99873 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ F2 P00734 1/20 0.40

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
Hydrochloric Acid SCHEMBL20527158 0.99 PTPN1 (0.44) PTPN1NPSR1KDM1ARCOR1MEN1
SCHEMBL20527335 0.92 LMNA (0.44) NPSR1MEN1RAB9AKMT2ANPC1
SCHEMBL20086571 0.91 KDM1A (0.51) PTPN1KDM1ARCOR1MEN1RAB9A
SCHEMBL16691871 0.88 KDM1A (0.51) PTPN1KDM1ARCOR1MEN1RAB9A
SCHEMBL18574371 0.88 RXFP1 (0.42) PTPN1MEN1KMT2ACYP1A2MAPT
Hydrochloric Acid SCHEMBL30944505 0.86 RXFP1 (0.41) PTPN1MEN1KMT2ACYP1A2MAPT
SCHEMBL27296169 0.85 POLB (0.49) PTPN1KDM1ARCOR1MEN1RAB9A
SCHEMBL20527216 0.85 P2RY12 (0.46) PTPN1KDM1ARCOR1MEN1RAB9A
SCHEMBL18975752 0.84 HRAS (0.36) NPSR1MEN1KMT2AMAPTCCNC
SCHEMBL19739146 0.83 HRAS (0.41) KMT2AMAPTCCNCCDK8POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20210206763-A1 Anti-Proliferative Agents CCND2, BRD2, DRD2 PTPN1 4272/4885NPSR1 3470/4885KDM1A 3103/4885
US-10975074-B2 Anti-liferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines CNR1, GABRA1, BAK1 PTPN1 2375/4885NPSR1 46/4885KDM1A 310/4885
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 PTPN1 2129/4885NPSR1 1377/4885KDM1A 558/4885
US-20190308970-A1 ANTI-LIFERATIVE AGENTS COMPRISING SUBSTITUTED PYRROLO-, INDOLINO- OR TETRAHYDROISOQUINOLINE-BENZODIAZEPINES GABRA1, GABBR1, GABRA2 PTPN1 2037/4885NPSR1 21/4885KDM1A 540/4885
US-11912700-B2 Anti-proliferative agents comprising substituted benzo[e]pyrido[1,2-a][1,4]diazepines MKI67, CCND2, CCND1 PTPN1 1484/4885NPSR1 599/4885KDM1A 695/4885

“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.

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