Sugi Predict

Sugi Predict / Compounds / SCHEMBL1985201

SCHEMBL1985201

SCHEMBL1985201

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(C(=O)OC)cc1)CN(C(=O)Nc1c(Cl)cccc1Cl)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ NLRP3 Q96P20 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 4/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL1983447 0.92 NLRP3 (0.34) NPC1NLRP3MAPTTP53LMNA
SCHEMBL1983233 0.90 LMNA (0.39) NPC1MAPTTP53LMNAPOLB
SCHEMBL1987368 0.88 AURKA (0.42) NPC1MAPTTSHRRAB9AMEN1
SCHEMBL20336263 0.84 NLRP3 (0.35) NLRP3MAPTL3MBTL1ALDH1A1
SCHEMBL1983905 0.84 LMNA (0.41) MAPTTP53LMNAPOLBMEN1
SCHEMBL20336275 0.83 NLRP3 (0.35) NLRP3MAPTL3MBTL1ALDH1A1
SCHEMBL1205765 0.79 ALDH1A1 (0.41) NPC1POLBGAATSHRRAB9A
SCHEMBL20336292 0.78 KDM4E (0.32) MAPTPOLBKDM4E
SCHEMBL1983449 0.77 HDAC1 (0.32) NPC1MAPTTP53LMNAPOLB
SCHEMBL1206281 0.77 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2KDM4EALDH1A1

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 NPC1 3933/4885NLRP3 1218/4885MAPT 2075/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NPC1 3933/4885NLRP3 1218/4885MAPT 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.