SCHEMBL652872

SCHEMBL652872

C[C@H](NC(=O)c1cc2[nH]nc(NC(=O)c3ccccc3[N+](=O)[O-])c2o1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.45
MAPK1 P28482 8/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
AURKA O14965 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL653508 1.00 BDKRB1 (0.45) BDKRB1MAPK1MEN1KMT2ALMNA
SCHEMBL651209 0.86 CYP1A2 (0.46) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL650318 0.85 ALDH1A1 (0.55) BDKRB1MAPK1LMNAALDH1A1THRB
SCHEMBL653980 0.85 ALDH1A1 (0.55) BDKRB1MAPK1LMNAALDH1A1THRB
SCHEMBL653933 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL654828 0.83 AURKA (0.49) MAPK1MEN1KMT2ALMNAMAPT
SCHEMBL652599 0.79 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1CYP1A2
SCHEMBL4285026 0.76 LMNA (0.64) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4285030 0.76 LMNA (0.64) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL653044 0.73 CYP1A2 (0.50) MEN1KMT2AMAPTALDH1A1CYP1A2

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 BDKRB1 708/4885MAPK1 185/4885MEN1 1095/4885

“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.