SCHEMBL18616326

SCHEMBL18616326

CC1CCN(C(=O)c2ccc(-c3cnc(N)c(C(N)=O)c3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 4/20 0.57
▸ BMPR1A P36894 4/20 0.57
▸ ACVRL1 P37023 4/20 0.57
▸ ACVR1 Q04771 4/20 0.57
▸ TGFBR1 P36897 3/20 0.57
▸ MERTK Q12866 3/20 0.53
▸ AXL P30530 1/20 0.53
▸ CCNC P24863 1/20 0.52
▸ CDK8 P49336 1/20 0.52
▸ KCNH2 Q12809 5/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47

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
SCHEMBL18615504 0.86 BMPR1B (0.68) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18612197 0.86 MERTK (0.59) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18615511 0.85 BMPR1B (0.62) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18616701 0.79 BMPR1B (0.71) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18617182 0.77 CHEK2 (0.64) BMPR1BBMPR1AACVRL1ACVR1TGFBR1
SCHEMBL18611892 0.76 MERTK (0.55) MERTKAXLPIK3CB
SCHEMBL30108250 0.76 HPGD (0.53) HRH3CA12CA1CA2CA7
SCHEMBL28225055 0.76 HPGD (0.53) HRH3CA12CA1CA2CA7
SCHEMBL18612199 0.75 L3MBTL3 (0.59) MERTKAXL
SCHEMBL18615821 0.75 MERTK (0.58) MERTKAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-10947215-B2 Heteroaryl compounds and their use as therapeutic drugs MERTK, ERBB2, SRC BMPR1B 2861/4885BMPR1A 2844/4885ACVRL1 2320/4885
US-20190119252-A1 HETEROARYL COMPOUNDS AND THEIR USE AS THERAPEUTIC DRUGS MERTK, ERBB2, SRC BMPR1B 2861/4885BMPR1A 2844/4885ACVRL1 2320/4885

“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.

Send feedback