SCHEMBL4290936

SCHEMBL4290936

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCN(C)CC3)c([N+](=O)[O-])c1)CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 4/20 0.42
POLB P06746 2/20 0.42
WDR5 P61964 5/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC1 Q13547 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL13857359 0.88 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL1373769 0.87 SIRT6 (0.39) MAPTSMN1; SMN2ALDH1A1MAPK1L3MBTL1
SCHEMBL4285407 0.86 MEN1 (0.43) MAPTSMN1; SMN2LMNAHTTMEN1
SCHEMBL4292337 0.85 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
Hydrochloric Acid SCHEMBL4292333 0.85 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL4280181 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1GAAL3MBTL1LMNA
SCHEMBL4291110 0.80 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL4288974 0.80 KDM4E (0.41) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL1205098 0.79 CDK2 (0.42) MAPTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL4288108 0.79 ALDH1A1 (0.39) MAPTSMN1; SMN2ALDH1A1MAPK1LMNA

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-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP 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 MAPT 2911/4885SMN1; SMN2 4419/4885ALDH1A1 1863/4885

“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.