SCHEMBL4288974

SCHEMBL4288974

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(OC)cc1[N+](=O)[O-])CN(C(=O)OC(C)(C)C)C2(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
C5AR1 P21730 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4291110 0.90 MAPT (0.40) KDM4EMAPTLMNAC5AR1SMN1; SMN2
SCHEMBL4278110 0.89 C5AR1 (0.35) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL4280181 0.88 ALDH1A1 (0.44) KDM4ERAB9AKMT2ALMNAMEN1
SCHEMBL1373769 0.86 SIRT6 (0.39) MAPTLMNAC5AR1SMN1; SMN2ALDH1A1
SCHEMBL4288108 0.86 ALDH1A1 (0.39) NPC1KMT2AMAPTLMNAMEN1
SCHEMBL4284883 0.84 KDM4E (0.45) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL4705048 0.82 KDM4E (0.45) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL1372170 0.81 KDM4E (0.39) KDM4ERAB9ANPC1KMT2AMAPT
SCHEMBL12879065 0.80 PAK4 (0.41) MAPTLMNAC5AR1ALDH1A1
SCHEMBL4290936 0.80 MAPT (0.45) RAB9ANPC1KMT2AMAPTLMNA

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 2 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

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 934/4885RAB9A 1153/4885NPC1 3747/4885

“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.