Sugi Predict

Sugi Predict / Compounds / SCHEMBL653933

SCHEMBL653933

SCHEMBL653933

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ P2RX1 P51575 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL652599 0.89 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDP2RX1
SCHEMBL651209 0.86 CYP1A2 (0.46) MEN1KMT2AALDH1A1HPGDABCG2
SCHEMBL4083477 0.86 AURKA (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL655164 0.86 AURKA (0.42) ALDH1A1P2RX1SMN1; SMN2NPC1AURKA
SCHEMBL652230 0.85 RXFP1 (0.42) MEN1KMT2AALDH1A1HPGDCYP2C19
SCHEMBL4088217 0.85 AURKA (0.51) AURKAHTT
SCHEMBL4093020 0.84 CDC7 (0.44) SMN1; SMN2NPC1AURKARAB9A
SCHEMBL4078482 0.83 HPGD (0.46) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL652872 0.83 BDKRB1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL653508 0.83 BDKRB1 (0.45) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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 7 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
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
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
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
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 2181/4885ALDH1A1 2682/4885

“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.