SCHEMBL18005019

SCHEMBL18005019

Cc1ccc(-c2nc(-c3nn[nH]c3C#N)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ SREBF2 Q12772 3/20 0.49
▸ KDM4E B2RXH2 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CDC25A P30304 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ CDC25C P30307 1/20 0.42
▸ SREBF1 P36956 1/20 0.41
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ATP4A P20648 2/20 0.39
▸ ATP4B P51164 2/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL18005024 0.88 CDC25A (0.55) RAB9ASMN1; SMN2SREBF2KDM4ENPC1
SCHEMBL18005984 0.87 RAB9A (0.46) RAB9ASMN1; SMN2SREBF2KDM4ENPC1
SCHEMBL16399142 0.87 KDM4E (0.49) RAB9ASMN1; SMN2SREBF2KDM4ENPC1
SCHEMBL18005014 0.87 KDM4E (0.49) RAB9ASREBF2KDM4ECDC25ACDC25B
SCHEMBL18005982 0.87 KMT2A (0.47) RAB9ASMN1; SMN2SREBF2KDM4ENPC1
SCHEMBL18005015 0.86 KDM4E (0.51) RAB9ASMN1; SMN2SREBF2KDM4ENPC1
SCHEMBL18004999 0.84 KDM4E (0.43) SMN1; SMN2KDM4ECDC25ACDC25BCDC25C
SCHEMBL18005017 0.82 CYP1A1 (0.35) RAB9ASMN1; SMN2SREBF2KDM4ECDC25A
SCHEMBL18005007 0.82 CYP1A1 (0.35) SMN1; SMN2SREBF2KDM4ECDC25ACDC25B
SCHEMBL18005241 0.82 CDK5 (0.40) KDM4ECDC25ACDC25BCDC25CALDH1A1

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 RAB9A 4775/4885SMN1; SMN2 3834/4885SREBF2 152/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 RAB9A 4775/4885SMN1; SMN2 3834/4885SREBF2 152/4885

“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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