SCHEMBL7016996

SCHEMBL7016996

COc1nc(N)c(C#N)c(C2CCN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CC2)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ADORA2A P29274 4/20 0.37
ADORA1 P30542 2/20 0.37
SQOR Q9Y6N5 4/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Hydrochloric Acid SCHEMBL7021906 0.72 IKBKB (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6071518 0.69 HTR3A (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL6071963 0.67 NSD2 (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL28383673 0.66 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10GSK3A
SCHEMBL7015521 0.65 ADORA2A (0.40) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL27589969 0.65 IKBKB (0.35) KDM4EALDH1A1HPGDHSD17B10GSK3A
SCHEMBL6544528 0.63 KDM4E (0.44) KDM4EALDH1A1NPSR1
Tert-Butyl Formate SCHEMBL27589970 0.63 IKBKB (0.45) IKBKB
SCHEMBL7015503 0.63 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL19734867 0.63 RECQL (0.38) KDM4EALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 US disclosed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP 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 (1 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-20030232860-A1 Medicine comprising dicyanopyridine derivative KCNN3, KCNN2, KCNN1 KDM4E 369/4885ALDH1A1 3292/4885HPGD 697/4885

“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.