SCHEMBL1983447

SCHEMBL1983447

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
POLB P06746 1/20 0.33
DGAT1 O75907 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NOS2 P35228 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TYK2 P29597 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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 0.92 NPC1 (0.37) NLRP3MAPTLMNAPOLBGAA
SCHEMBL1983233 0.90 LMNA (0.39) MAPTLMNAPOLBGAAL3MBTL1
SCHEMBL1987368 0.88 AURKA (0.42) MAPTDGAT1TSHRRAB9ANPC1
SCHEMBL1983449 0.85 HDAC1 (0.32) MAPTLMNAPOLBGAATSHR
SCHEMBL20336263 0.84 NLRP3 (0.35) NLRP3MAPTDGAT1NOS2L3MBTL1
SCHEMBL1983905 0.84 LMNA (0.41) MAPTLMNAPOLBTP53MEN1
SCHEMBL20336275 0.83 NLRP3 (0.35) NLRP3MAPTDGAT1NOS2L3MBTL1
SCHEMBL1205765 0.79 ALDH1A1 (0.41) POLBGAATSHRRAB9ANPC1
SCHEMBL1206281 0.77 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL20336259 0.77 HDAC11 (0.32)

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 NLRP3 1218/4885MAPT 2075/4885LMNA 4050/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 NLRP3 1218/4885MAPT 2075/4885LMNA 4050/4885

“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.