SCHEMBL7016245

SCHEMBL7016245

N#Cc1c(N)nc(OCc2ccccn2)c(C#N)c1-c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
HSD17B10 Q99714 3/20 0.67
MAPK1 P28482 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
ADORA1 P30542 6/20 0.41
ADORA2A P29274 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 5/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
MGMT P16455 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40

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
SCHEMBL7024723 0.84 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL3551822 0.84 ADORA1 (0.52) ALDH1A1HSD17B10MAPK1SMN1; SMN2PKM
SCHEMBL7018457 0.82 ALDH1A1 (0.64) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL7019128 0.81 ALDH1A1 (0.79) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL7022379 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL7016411 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL7016509 0.80 ALDH1A1 (0.70) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL6441455 0.79 ADORA1 (0.66) ALDH1A1HSD17B10SMN1; SMN2ADORA1ADORA2A
SCHEMBL7022142 0.79 ALDH1A1 (0.76) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1
SCHEMBL7018672 0.78 ALDH1A1 (0.72) ALDH1A1HSD17B10MAPK1SMN1; SMN2ADORA1

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 3292/4885HSD17B10 3642/4885MAPK1 2493/4885

“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.