SCHEMBL4279306

SCHEMBL4279306

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c2c1CNC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 4/20 0.47
POLB P06746 2/20 0.46
WDR5 P61964 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43

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
Hydrochloric Acid SCHEMBL4279298 0.99 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL14421913 0.86 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL15338603 0.85 WDR5 (0.36) MAPTSMN1; SMN2ALDH1A1LMNAWDR5
SCHEMBL13857361 0.85 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL4285149 0.85 TAAR1 (0.45)
Hydrochloric Acid SCHEMBL4285146 0.84 TAAR1 (0.44)
SCHEMBL4278011 0.84 MAPT (0.47) MAPTSMN1; SMN2ALDH1A1GAAMAPK1
SCHEMBL5449603 0.83 MEN1 (0.49) MAPTSMN1; SMN2MEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL2927668 0.82 MEN1 (0.48) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL4293087 0.82 FGFR1 (0.35) MAPTSMN1; SMN2LMNAWDR5

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 7 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
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
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
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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 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.