SCHEMBL5263270

SCHEMBL5263270

O=C(NN1CCCCC1)c1n[nH]c2ccncc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 13/20 0.47
DYRK1A Q13627 13/20 0.47
MAPK8 P45983 1/20 0.47
MAPK10 P53779 1/20 0.47
FLT3 P36888 1/20 0.43
CLK2 P49760 3/20 0.42
CLK3 P49761 3/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5945617 0.83 MAPK8 (0.61) MAPK8MAPK10FLT3HTT
SCHEMBL5945688 0.79 MAPK8 (0.46) WNT1DYRK1AMAPK8MAPK10FLT3
SCHEMBL1689099 0.78 MAPK8 (0.40) WNT1DYRK1AMAPK8MAPK10CLK2
SCHEMBL5263268 0.77 HTT (0.41) MAPK8MAPK10HTT
SCHEMBL30356824 0.73 PRKAG1 (0.46) DYRK1AFLT3
SCHEMBL492537 0.73 PRKAG1 (0.46) DYRK1AFLT3
SCHEMBL492563 0.72 CHRNA7 (0.76) WNT1DYRK1A
SCHEMBL4603834 0.72 CHRNA7 (0.76) WNT1DYRK1A
SCHEMBL10225257 0.72 CHRNA7 (0.76) WNT1DYRK1A
SCHEMBL12480678 0.71 DYRK1A (0.42) WNT1DYRK1ACLK2CLK3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804791-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-11 EP claimed
WO-2006049880-A1 TETRAHYDRO PYRIDINYL PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-11 WO claimed
US-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-27 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-20060089378-A1 Tetrahydro-pyridinyl pyrazole cannabinoid modulators CNR2, CNR1, GPR18 WNT1 1337/4885DYRK1A 2013/4885MAPK8 2147/4885

“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.