SCHEMBL18005016

SCHEMBL18005016

COc1cccc(-c2nc(-c3nn[nH]c3C#N)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SREBF2 Q12772 1/20 0.50
▸ MAPT P10636 5/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP1A1 P04798 4/20 0.46
▸ CYP1B1 Q16678 4/20 0.46
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL18005015 0.86 KDM4E (0.51) SREBF2MAPTTDP1KDM4ECYP19A1
SCHEMBL16399094 0.86 CTSS (0.44) SREBF2EIF4EADORA2AADORA1PIM1
SCHEMBL18005023 0.84 EIF4E (0.45) CYP1A1CYP1B1MEN1KMT2ACYP1A2
SCHEMBL18005977 0.83 ALDH1A1 (0.50) MAPTTDP1KDM4EALDH1A1CYP1A1
SCHEMBL18005018 0.83 CYP19A1 (0.46) MAPTCYP19A1LMNACYP1A1CYP1B1
SCHEMBL18005982 0.82 KMT2A (0.47) SREBF2MAPTKDM4ECYP19A1LMNA
SCHEMBL18005923 0.82 ADORA2A (0.50) MAPTKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL18005010 0.81 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2
SCHEMBL16399311 0.80 ALDH1A1 (0.48) KDM4EALDH1A1RAB9AMEN1KMT2A
SCHEMBL18005984 0.80 RAB9A (0.46) SREBF2MAPTKDM4ECYP19A1LMNA

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 SREBF2 152/4885MAPT 2196/4885TDP1 2138/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 SREBF2 152/4885MAPT 2196/4885TDP1 2138/4885

“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