SCHEMBL3949356

SCHEMBL3949356

Clc1ccnc2[nH]c(C3CCC3)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 8/20 0.39
▸ TMEM97 Q5BJF2 3/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ DRD3 P35462 2/20 0.38
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ PRKCI P41743 1/20 0.34

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
SCHEMBL30633389 1.00 ADORA3 (0.39) ADORA3TMEM97SIGMAR1DRD3ADORA2A
SCHEMBL1917392 0.94 ADORA3 (0.39) ADORA3TMEM97SIGMAR1DRD3DAO
SCHEMBL27035392 0.87 CDK9 (0.35) ADORA3TMEM97SIGMAR1DAOAXL
SCHEMBL3949234 0.83 TSPO (0.38) ADORA3TMEM97DRD3ADORA2AADORA1
SCHEMBL3949386 0.81 BRD4 (0.40) ADORA3ADORA2AADORA1NOS1NOS2
SCHEMBL3948904 0.81 PDK2 (0.37) ADORA3TMEM97DRD3ADORA2AADORA1
SCHEMBL3952077 0.81 MAPT (0.38) ADORA3TMEM97DRD3ADORA2AADORA1
SCHEMBL3952234 0.81 ADORA3 (0.36) ADORA3TMEM97DRD3ADORA2AADORA1
SCHEMBL17645940 0.79 DAO (0.36) DAO
SCHEMBL3957784 0.78 ADORA2B (0.35) ADORA3ADORA2AADORA1NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 — — US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 — — EP disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
EP-2740730-B1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-11-16 — — EP disclosed
US-8969345-B2 Dibenzooxepin derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-03-03 — — US disclosed
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-12 — — US disclosed
EP-2740730-A1 DIBENZOOXEPIN DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2014-06-11 — — EP disclosed
WO-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 — — WO disclosed
WO-2009029592-A1 HETEROBICYCLIC-SUBSTITUTED QUINOLONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2009-03-05 — — 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 (2 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB ADORA3 3888/4885TMEM97 3605/4885SIGMAR1 3594/4885
US-20140163008-A1 DIBENZOOXEPIN DERIVATIVE PPARA, PPARG, PPARD ADORA3 733/4885TMEM97 2870/4885SIGMAR1 3324/4885

“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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