SCHEMBL4286497

SCHEMBL4286497

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N(C)C)cc1[N+](=O)[O-])CNC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32

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 SCHEMBL4286492 0.99 MAPT (0.37) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL2677503 0.90 MAPT (0.36) MAPTLMNANPSR1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL2677500 0.89 MAPT (0.36) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL4701327 0.88 MAPT (0.42) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL4284883 0.88 KDM4E (0.45) MAPTLMNASMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL4425813 0.88 MAPT (0.42) MAPTLMNASMN1; SMN2ALDH1A1GAA
SCHEMBL15338602 0.86 HDAC1 (0.33) MAPTLMNANPSR1SMN1; SMN2NPC1
SCHEMBL4424639 0.86 ALDH1A1 (0.48) MAPTLMNANPSR1SMN1; SMN2RAB9A
Hydrochloric Acid SCHEMBL4424633 0.85 ALDH1A1 (0.48) MAPTLMNANPSR1SMN1; SMN2RAB9A
SCHEMBL1371503 0.84 SIRT6 (0.42) MAPTLMNASMN1; SMN2ALDH1A1POLB

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 12 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-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 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
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007099171-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 WO disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 WO 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 (2 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 2911/4885LMNA 2859/4885NPSR1 2701/4885
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 MAPT 2209/4885LMNA 3860/4885NPSR1 4276/4885

“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.