SCHEMBL18616319

SCHEMBL18616319

NC(=O)c1cc(-c2ccc(CN3CCC(O)C3)cc2)cnc1N

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 13/20 0.58
▸ AXL P30530 12/20 0.58
▸ BMPR1B O00238 4/20 0.52
▸ BMPR1A P36894 4/20 0.52
▸ TGFBR1 P36897 4/20 0.52
▸ ACVRL1 P37023 4/20 0.52
▸ ACVR1 Q04771 4/20 0.52
▸ CYP11B2 P19099 1/20 0.48
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ ACHE P22303 1/20 0.44

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
SCHEMBL24838113 1.00 MERTK (0.58) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL21779434 0.94 AXL (0.60) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616317 0.93 ACVR1 (0.56) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616322 0.91 AXL (0.55) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18615840 0.89 MERTK (0.58) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18617176 0.87 MERTK (0.57) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL21779421 0.85 AXL (0.61) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18617188 0.85 AXL (0.61) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL18616320 0.85 AXL (0.60) MERTKAXLBMPR1BBMPR1ATGFBR1
SCHEMBL20935467 0.83 ACVR1 (0.50) MERTKAXLBMPR1BBMPR1ATGFBR1

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 MERTK 1/4885AXL 30/4885BMPR1B 2861/4885

“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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