SCHEMBL4284883

SCHEMBL4284883

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
KMT2A Q03164 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
MEN1 O00255 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL4701327 0.89 MAPT (0.42) KDM4EMAPTLMNAKMT2ACYP3A4
Hydrochloric Acid SCHEMBL4425813 0.88 MAPT (0.42) KDM4EMAPTLMNAKMT2ACYP3A4
SCHEMBL4286497 0.88 MAPT (0.38) KDM4EMAPTLMNARAB9ANPC1
SCHEMBL4424639 0.87 ALDH1A1 (0.48) KDM4EMAPTLMNARAB9ACYP1A2
Hydrochloric Acid SCHEMBL4286492 0.87 MAPT (0.37) KDM4EMAPTLMNARAB9ANPC1
Hydrochloric Acid SCHEMBL4424633 0.86 ALDH1A1 (0.48) KDM4EMAPTLMNARAB9ACYP1A2
SCHEMBL1371503 0.85 SIRT6 (0.42) MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4278090 0.84 MAPT (0.41) MAPTLMNANPC1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL1371499 0.84 SIRT6 (0.42) MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4288974 0.84 KDM4E (0.41) KDM4EMAPTLMNARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP 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 (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-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 KDM4E 934/4885MAPT 2209/4885LMNA 3860/4885

“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.