SCHEMBL18615708

SCHEMBL18615708

CN1CCC(NCc2cccc(-c3cnc(N)c(C(N)=O)c3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 12/20 0.62
▸ MERTK Q12866 12/20 0.62
▸ MAP4K4 O95819 1/20 0.54
▸ CARM1 Q86X55 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ PIK3C3 Q8NEB9 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ BMPR1B O00238 3/20 0.43
▸ BMPR1A P36894 3/20 0.43
▸ TGFBR1 P36897 3/20 0.43
▸ ACVRL1 P37023 3/20 0.43
▸ ACVR1 Q04771 3/20 0.43
▸ JAK3 P52333 1/20 0.43

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
SCHEMBL18615349 0.89 MERTK (0.61) AXLMERTKPIK3C3PIK3CBBMPR1B
SCHEMBL21779420 0.88 AXL (0.52) AXLMERTKMAP4K4PIK3CBBMPR1B
SCHEMBL18611763 0.81 AXL (0.66) AXLMERTKPIK3C3BMPR1BBMPR1A
SCHEMBL18616276 0.81 AXL (0.58) AXLMERTKPIK3C3PIK3CB
SCHEMBL24838532 0.78 AXL (0.77) AXLMERTK
SCHEMBL18611756 0.78 MERTK (0.61) AXLMERTKPIK3C3BMPR1BBMPR1A
SCHEMBL18616309 0.78 AXL (0.50) AXLMERTKMAP4K4BMPR1BBMPR1A
SCHEMBL18580369 0.78 AXL (1.00) AXLMERTK
SCHEMBL18611170 0.76 MERTK (0.48) AXLMERTKPIK3C3PIK3CBBMPR1B
SCHEMBL21779418 0.76 BMPR1B (0.68) AXLMERTKPIK3C3BMPR1BBMPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2023-01-05 — — US disclosed
EP-3344613-B1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG A SOCIO HOLDINGS CO LTD (KR) 2020-03-04 — — EP disclosed
WO-2017039331-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-03-09 — — 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 (1 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-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC AXL 30/4885MERTK 1/4885MAP4K4 273/4885

“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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