SCHEMBL18611468

SCHEMBL18611468

NC(=O)c1cc(-c2ccc(CN3CCOCC3)cc2)cnc1N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.55
MERTK Q12866 3/20 0.55
LRRK2 Q5S007 2/20 0.54
JAK2 O60674 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
PARP1 P09874 2/20 0.52
IKBKE Q14164 6/20 0.51
TBK1 Q9UHD2 6/20 0.51
SYK P43405 1/20 0.51
PARP2 Q9UGN5 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
BMPR1B O00238 2/20 0.48
BMPR1A P36894 2/20 0.48
TGFBR1 P36897 2/20 0.48
ACVRL1 P37023 2/20 0.48
ACVR1 Q04771 2/20 0.48

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
SCHEMBL30508238 0.91 LRRK2 (0.57) AXLMERTKLRRK2JAK2HRH3
SCHEMBL29042029 0.87 AXL (0.58) AXLMERTKLRRK2HRH3IKBKE
SCHEMBL30508265 0.87 AXL (0.58) AXLMERTKLRRK2HRH3IKBKE
SCHEMBL18615786 0.86 AXL (0.57) AXLMERTKPARP1PARP2PARP3
SCHEMBL18616302 0.86 MERTK (0.53) AXLMERTKPARP1IKBKETBK1
SCHEMBL20935467 0.86 ACVR1 (0.50) AXLMERTKLRRK2BMPR1BBMPR1A
SCHEMBL18616317 0.85 ACVR1 (0.56) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18615800 0.85 AXL (0.56) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL18617176 0.85 MERTK (0.57) AXLMERTKBMPR1BBMPR1ATGFBR1
SCHEMBL30508255 0.83 AXL (0.53) AXLMERTKLRRK2HRH3IKBKE

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 7 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
US-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2021-03-16 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
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2019-04-25 US disclosed
US-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO., LTD. (KR) 2017-12-14 US disclosed
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS DONG-A SOCIO HOLDINGS CO LTD (KR) 2017-03-09 US 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 (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-20170355690-A9 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC AXL 30/4885MERTK 1/4885LRRK2 167/4885
US-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC AXL 30/4885MERTK 1/4885LRRK2 167/4885
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC AXL 30/4885MERTK 1/4885LRRK2 167/4885
US-20230002353-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC AXL 30/4885MERTK 1/4885LRRK2 167/4885
US-20170066742-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC AXL 30/4885MERTK 1/4885LRRK2 167/4885

“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.