SCHEMBL4287742

SCHEMBL4287742

NC(=O)c1n[nH]c2c1CN(S(=O)(=O)c1ccccc1)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.39
DRD3 P35462 3/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 2/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C1 Q04828 1/20 0.39
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
CYP2C9 P11712 1/20 0.38
CHEK2 O96017 1/20 0.38
DRD2 P14416 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4281894 0.86 TDP1 (0.46) AKR1C3GAAPKMMEN1KMT2A
SCHEMBL4287748 0.81 HTR6 (0.42) HTR6DRD3ALDH1A1CYP2C9DRD2
SCHEMBL4287251 0.80 KMT2A (0.49) ALDH1A1AKR1C3MEN1KMT2A
SCHEMBL4285746 0.79 AURKA (0.47) ALDH1A1PARP1PARP2L3MBTL1
SCHEMBL4946816 0.79 PKM (0.43) ALDH1A1GAAL3MBTL1PKMMEN1
SCHEMBL4285751 0.75 AURKA (0.47) ALDH1A1
SCHEMBL2919887 0.70 AURKA (0.63)
SCHEMBL1373681 0.69 IGF1R (0.55) ALDH1A1MEN1KMT2A
SCHEMBL15161210 0.68 CYP2C19 (0.39) KMT2A
SCHEMBL4285648 0.68 IGF1R (0.58) ALDH1A1PKM

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
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US claimed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 HTR6 4036/4885DRD3 2957/4885CYP2D6 1680/4885

“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.