SCHEMBL21779420

SCHEMBL21779420

NC(=O)c1cc(-c2cccc(CNC3CCCCC3)c2)cnc1N

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 6/20 0.52
▸ MERTK Q12866 6/20 0.52
▸ MAP4K4 O95819 4/20 0.49
▸ BMPR1B O00238 4/20 0.48
▸ BMPR1A P36894 4/20 0.48
▸ TGFBR1 P36897 4/20 0.48
▸ ACVRL1 P37023 4/20 0.48
▸ ACVR1 Q04771 4/20 0.48
▸ CHEK1 O14757 1/20 0.46
▸ PIK3CB P42338 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL18616309 0.89 AXL (0.50) AXLMERTKMAP4K4BMPR1BBMPR1A
SCHEMBL18615708 0.88 AXL (0.62) AXLMERTKMAP4K4BMPR1BBMPR1A
SCHEMBL18615349 0.76 MERTK (0.61) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18617140 0.74 AXL (0.51) AXLMERTKMAP4K4CHEK1PIK3CB
SCHEMBL3461772 0.73 PIK3CD (0.57) MAP4K4ACVR1PIK3CB
SCHEMBL8807848 0.73 HRH3 (0.62) MAP4K4PARP1POLBKCNH2MEN1
SCHEMBL30108253 0.72 AXL (0.46) AXLMERTKMAP4K4BMPR1BBMPR1A
SCHEMBL14202576 0.71 PRMT6 (0.57) MAP4K4PARP1POLBKCNH2MEN1
SCHEMBL12651155 0.71 HRH3 (0.60) CHEK1MEN1KMT2A
SCHEMBL19806887 0.71 BMPR1B (0.72) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 2 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

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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