SCHEMBL653043

SCHEMBL653043

O=C(Nc1[nH]nc2ccoc12)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 1/20 0.47
HPGD P15428 1/20 0.46
CTSD P07339 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
ALPL P05186 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
SCHEMBL651482 0.80 MEN1 (0.51) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL653044 0.79 CYP1A2 (0.50) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL628824 0.68 SMN1; SMN2 (0.56) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL394289 0.68 KCNMA1 (0.79) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL995085 0.68 GAA (0.77) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL10647360 0.68 SMN1; SMN2 (0.59) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL4694811 0.68 ALDH1A1 (0.73) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL8114708 0.66 SMN1; SMN2 (1.00) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL7717663 0.66 ALDH1A1 (0.66) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL296470 0.66 ALDH1A1 (0.76) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119641-B2 1H-furo[3,2-C]pyrazole compounds useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-21 US disclosed
EP-2051981-B1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-08-25 EP disclosed
US-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-09-24 US disclosed
EP-2051981-A1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-04-29 EP disclosed
WO-2007138017-A1 1H-FURO[3,2-C] PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-12-06 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-20090239924-A1 1H-FURO[3,2-C]PYRAZOLE COMPOUNDS USEFUL AS KINASE INHIBITORS IGF1R, CDK1, CDK15 MEN1 1095/4885KMT2A 2181/4885CYP1A2 1175/4885

“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.