SCHEMBL18005606

SCHEMBL18005606

CCOc1ccc(-c2nc(-c3nn[nH]c3C#N)c(C(C)C)o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.48
ALDH1A1 P00352 16/20 0.48
HPGD P15428 11/20 0.48
MAPT P10636 9/20 0.48
GAA P10253 6/20 0.48
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 5/20 0.44
TP53 P04637 3/20 0.44
HSD17B10 Q99714 9/20 0.43
MAPK1 P28482 5/20 0.43
LMNA P02545 4/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL16398549 0.85 KDM5A (0.41) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL16399661 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL16399478 0.84 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTGAA
SCHEMBL18005486 0.81 KDM5A (0.37) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL18005930 0.80 ALDH1A1 (0.48) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL18005386 0.79 ALOX15 (0.45) KDM4EALDH1A1HPGDMAPTRAB9A
SCHEMBL18005405 0.79 ESR1 (0.35) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL18005255 0.77 MAPK14 (0.36) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL18005267 0.75 NOTUM (0.42)
SCHEMBL18005256 0.74 NOTUM (0.41) KDM4EALDH1A1MAPTRAB9ANPC1

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 KDM4E 2681/4885ALDH1A1 1611/4885HPGD 2152/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 KDM4E 2681/4885ALDH1A1 1611/4885HPGD 2152/4885

“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.