SCHEMBL1986383

SCHEMBL1986383

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2[N+](=O)[O-])c2c1C(C)(C)N(C(=O)Nc1c(Cl)cccc1Cl)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.39
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
WDR5 P61964 5/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT1 O75907 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CDK11A Q9UQ88 1/20 0.34
SRC P12931 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 1/20 0.34
FLT3 P36888 1/20 0.34
LIMK1 P53667 1/20 0.34
LIMK2 P53671 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
SCHEMBL1986387 0.88 SIRT6 (0.39) SIRT6MAPTLMNAPOLBWDR5
SCHEMBL1987097 0.86 SIRT6 (0.39) SIRT6MAPTLMNAPOLBWDR5
SCHEMBL1987005 0.82 SRC (0.33) DGAT1NPC1RAB9ACDK11ASRC
SCHEMBL1987021 0.82 SIRT6 (0.42) SIRT6MAPTLMNAPOLBWDR5
Hydrochloric Acid SCHEMBL1987018 0.81 SIRT6 (0.41) SIRT6MAPTLMNAPOLBWDR5
SCHEMBL3817856 0.81 SRC (0.32) DGAT1NPC1RAB9ACDK11ASRC
SCHEMBL1987643 0.81 INSR (0.35) DGAT1NPC1RAB9ACDK11ASRC
SCHEMBL1891150 0.75 HTT (0.40) SIRT6MAPTLMNAPOLBALDH1A1
SCHEMBL1886632 0.75 SIRT6 (0.42) SIRT6MAPTLMNAPOLBALDH1A1
SCHEMBL1889278 0.75 MAPT (0.41) SIRT6MAPTLMNAPOLBALDH1A1

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 SIRT6 2271/4885MAPT 2075/4885LMNA 4050/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 SIRT6 2271/4885MAPT 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.