SCHEMBL7018422

SCHEMBL7018422

COc1nc(N)c(C#N)c(-c2ccc3c(c2)NCC3)c1C#N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.58
▸ ADORA2A P29274 3/20 0.58
▸ KDM4E B2RXH2 9/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ HPGD P15428 5/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ NPSR1 Q6W5P4 4/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ DYRK1A Q13627 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ MAPK1 P28482 4/20 0.44

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 SCHEMBL7022322 0.99 ADORA1 (0.57) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL6462293 0.76 ADORA1 (0.65) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL6461004 0.75 KDM4E (0.70) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL7019095 0.75 ADORA1 (0.60) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL6466480 0.75 ADORA1 (0.63) ADORA1ADORA2AKDM4EHSD17B10HPGD
Hydrochloric Acid SCHEMBL7021740 0.74 KDM4E (0.68) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL1421689 0.73 KDM4E (0.67) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL31243786 0.73 KDM4E (0.67) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL31243787 0.73 KDM4E (0.67) ADORA1ADORA2AKDM4EHSD17B10HPGD
SCHEMBL7018785 0.73 ADORA1 (0.57) ADORA1ADORA2AKDM4EHSD17B10HPGD

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
US-20030232860-A1 Medicine comprising dicyanopyridine derivative ASTELLAS PHARMA INC. (JP) 2003-12-18 — — US claimed
EP-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 — — EP claimed
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 ADORA1 1628/4885ADORA2A 2417/4885KDM4E 369/4885

“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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