SCHEMBL1986387

SCHEMBL1986387

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2[N+](=O)[O-])c2c1C(C)(C)N(C(=O)N(Cl)c1ccccc1Cl)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.39
WDR5 P61964 6/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BCL2 P10415 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 2/20 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
SCHEMBL1986383 0.88 SIRT6 (0.39) SIRT6WDR5MAPTALDH1A1CYP2D6
SCHEMBL1987097 0.84 SIRT6 (0.39) SIRT6WDR5MAPTALDH1A1LMNA
SCHEMBL1987008 0.84 INSR (0.33) MAPTMEN1KMT2ALMNANPC1
SCHEMBL1987647 0.83 INSR (0.35) NPC1RAB9A
SCHEMBL1987021 0.82 SIRT6 (0.42) SIRT6WDR5MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL1987018 0.81 SIRT6 (0.41) SIRT6WDR5MAPTALDH1A1LMNA
SCHEMBL1987371 0.76 MEN1 (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1373769 0.74 SIRT6 (0.39) SIRT6WDR5MAPTALDH1A1LMNA
SCHEMBL1886632 0.73 SIRT6 (0.42) SIRT6MAPTALDH1A1LMNAPOLB
SCHEMBL1890266 0.73 SIRT6 (0.42) SIRT6MAPTALDH1A1MEN1KMT2A

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 5 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

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 2271/4885WDR5 1911/4885MAPT 2075/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 SIRT6 2271/4885WDR5 1911/4885MAPT 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.