SCHEMBL18006124

SCHEMBL18006124

N#Cc1[nH]nnc1-c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
CALM1 P0DP23 1/20 0.38
ERBB2 P04626 1/20 0.36
LTA4H P09960 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
XDH P47989 1/20 0.35
NR1H2 P55055 2/20 0.34
ADORA1 P30542 2/20 0.34
NR1H3 Q13133 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL18003968 0.87 ADORA1 (0.45) ERBB2HPGDXDHADORA1MEN1
SCHEMBL18004136 0.87 ADORA1 (0.45) ERBB2HPGDXDHADORA1MEN1
SCHEMBL12386160 0.87 ERBB2 (0.46) ERBB2HPGDTSHRXDHADORA1
SCHEMBL18006066 0.87 HRH3 (0.38) CALM1NPC1RAB9AHPGDTSHR
SCHEMBL18004145 0.83 ERBB2 (0.40) ERBB2ADORA1MEN1KMT2ACHEK1
SCHEMBL18003990 0.82 KIF11 (0.41) LTA4H
SCHEMBL18005504 0.82 HPGD (0.34) CNR2LTA4HHPGD
SCHEMBL16406697 0.81 ERBB2 (0.32) CNR2ERBB2ADORA1MEN1KMT2A
SCHEMBL18005919 0.81 MAOB (0.55) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL21843233 0.81 CYP2A6 (0.44) ERBB2CA12CA9HPGDTSHR

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CNR2 2599/4885CALM1 616/4885ERBB2 4040/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CNR2 2599/4885CALM1 616/4885ERBB2 4040/4885

“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.