SCHEMBL7014230

SCHEMBL7014230

COc1nc(N)c(C#N)c(-c2ccc(NC(=O)O)cc2)c1C#N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.61
▸ KDM4E B2RXH2 7/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ NPSR1 Q6W5P4 4/20 0.61
▸ MAPT P10636 4/20 0.61
▸ RXFP1 Q9HBX9 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ CASP1 P29466 1/20 0.61
▸ CASP7 P55210 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ ADORA2A P29274 3/20 0.53
▸ ADORA1 P30542 3/20 0.53
▸ ELAVL1 Q15717 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48

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
SCHEMBL7020305 0.83 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL7019732 0.81 RXFP1 (0.58) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL1421689 0.81 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL6461004 0.81 KDM4E (0.70) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL28383673 0.81 KDM4E (0.66) ALDH1A1KDM4EMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL7021740 0.79 KDM4E (0.68) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31243787 0.78 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL31243786 0.78 KDM4E (0.67) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL3548045 0.76 ADORA3 (0.56) ALDH1A1KDM4EMEN1KMT2ANPSR1
SCHEMBL5228041 0.76 ADORA2B (0.51) ALDH1A1KDM4EMEN1KMT2ANPSR1

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 ALDH1A1 3292/4885KDM4E 369/4885MEN1 2381/4885

“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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