SCHEMBL16399381

SCHEMBL16399381

COc1ccc(C=Cc2ccc(-c3[nH]nnc3C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TRPA1 O75762 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ CYP1A1 P04798 2/20 0.41
▸ CYP1B1 Q16678 2/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ ABCB1 P08183 1/20 0.41

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
SCHEMBL17969071 1.00 NPC1 (0.43) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL16398904 0.85 KDM4E (0.43) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL17969133 0.85 KDM4E (0.43) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL17969082 0.84 TUBB1 (0.48) CYP1A2SMN1; SMN2MAPTCYP1A1CYP1B1
SCHEMBL16399003 0.84 TUBB1 (0.48) CYP1A2SMN1; SMN2MAPTCYP1A1CYP1B1
SCHEMBL16399387 0.83 KDM4E (0.39) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL16398919 0.83 HDAC2 (0.40) NPC1KDM4EMAPTLMNAALOX5
SCHEMBL16398917 0.83 HDAC2 (0.40) NPC1KDM4EMAPTLMNAALOX5
SCHEMBL16399388 0.83 KDM4E (0.39) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2
SCHEMBL17969113 0.82 ERBB2 (0.37) NPC1RAB9AKDM4ECYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 — — EP claimed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 — — US claimed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 — — US claimed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP claimed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN claimed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — WO claimed
EP-4570313-A2 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2025-06-18 — — EP disclosed
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
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 — — EP disclosed
CN-105408325-A Cyanotriazole compounds OTSUKA PHARMA CO LTD 2016-03-16 — — CN disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 — — 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 NPC1 1062/4885RAB9A 4775/4885KDM4E 2681/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 NPC1 1062/4885RAB9A 4775/4885KDM4E 2681/4885

“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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