Sugi Predict

Sugi Predict / Compounds / SCHEMBL1983233

SCHEMBL1983233

SCHEMBL1983233

CCOC(=O)n1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)CN(C(=O)Nc1c(Cl)cccc1Cl)C2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 7/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ POLB P06746 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KCNJ1 P48048 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ P2RY14 Q15391 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
SCHEMBL1985201 0.90 NPC1 (0.37) LMNAHTTMAPTMEN1KMT2A
SCHEMBL1983447 0.90 NLRP3 (0.34) LMNAHTTMAPTMEN1KMT2A
SCHEMBL1983905 0.89 LMNA (0.41) LMNAMAPTMEN1KMT2APOLB
SCHEMBL1983235 0.86 LMNA (0.37) LMNAHTTMAPTMEN1KMT2A
SCHEMBL1987368 0.85 AURKA (0.42) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL20336263 0.82 NLRP3 (0.35) MAPTALDH1A1L3MBTL1
SCHEMBL20336275 0.81 NLRP3 (0.35) MAPTALDH1A1L3MBTL1
SCHEMBL1984887 0.80 NLRP3 (0.39) LMNAMAPTMEN1KMT2APOLB
SCHEMBL1205765 0.77 ALDH1A1 (0.41) HTTPOLBRAB9AALDH1A1SMN1; SMN2
SCHEMBL1983907 0.76 LMNA (0.39) LMNAHTTMAPTMEN1KMT2A

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-8623876-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-07 — — US disclosed
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 — — US disclosed
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 — — US disclosed
EP-2089394-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-06-29 — — EP disclosed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 — — US disclosed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 — — EP disclosed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 — — 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 (2 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-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 LMNA 4050/4885HTT 4017/4885MAPT 2075/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 LMNA 4050/4885HTT 4017/4885MAPT 2075/4885

“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.