SCHEMBL3351953

SCHEMBL3351953

NCC(O)c1cc2ccccn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
ABL1 P00519 1/20 0.41
MAPK8 P45983 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK7 P50613 1/20 0.41
TYRO3 Q06418 1/20 0.41
LRRK2 Q5S007 1/20 0.41
AURKB Q96GD4 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
TP53 P04637 5/20 0.39
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3351957 0.77 MAP4K4 (0.41) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL651412 0.75 MAP4K4 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL20023731 0.75 MAP4K4 (0.44) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL20559469 0.75 MAP4K4 (0.44) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL13540953 0.70 DRD2 (0.47) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL25514619 0.69 MAPT (0.40) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL31253295 0.69 MAP4K4 (0.46) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL259378 0.68 DRD2 (0.48) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL967558 0.68 DRD2 (0.45) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL1269053 0.67 MAP4K4 (0.50) MAP4K4ABL1MAPK8CSNK1A1CDK7

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-7857864-B2 Composition for the dyeing of keratin fibers comprising at least one 3-amino-pyrazolopyridine derivative L'OREAL S.A. (FR) 2010-12-28 US disclosed
US-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE L'OREAL S.A. (FR) 2010-05-13 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 (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-20100115711-A1 COMPOSITION FOR THE DYEING OF KERATIN FIBERS COMPRISING AT LEAST ONE 3-AMINO-PYRAZOLOPYRIDINE DERIVATIVE KRT18, MARK1, MARK2 MAP4K4 154/4885ABL1 2496/4885MAPK8 1387/4885

“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.