SCHEMBL4810591

SCHEMBL4810591

C#CCNS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 1/20 0.57
KAT6A Q92794 1/20 0.50
FBP1 P09467 13/20 0.49
MEN1 O00255 1/20 0.49
AKR1C3 P42330 1/20 0.46

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
SCHEMBL15651463 0.82 CYP19A1 (0.60) KMT2AALDH1A1KAT6A
SCHEMBL4814114 0.82 GBA1 (0.52) KMT2AALDH1A1KAT6AMEN1
SCHEMBL3368190 0.82 PGR (0.51) KMT2AALDH1A1KAT6AFBP1
SCHEMBL31404044 0.81 KMT2A (0.77) KMT2AALDH1A1KAT6AFBP1MEN1
SCHEMBL350324 0.81 KMT2A (0.77) KMT2AALDH1A1KAT6AFBP1MEN1
SCHEMBL1501830 0.80 ALDH1A1 (0.55) ALDH1A1
SCHEMBL24956750 0.79 KMT2A (0.74) KMT2AALDH1A1KAT6AFBP1MEN1
SCHEMBL13763465 0.79 KMT2A (0.74) KMT2AALDH1A1KAT6AFBP1MEN1
SCHEMBL2624207 0.79 ALDH1A1 (0.63) KMT2AALDH1A1MEN1
SCHEMBL4818983 0.78 CA1 (0.59) KMT2AALDH1A1MEN1

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
EP-1740579-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2007-01-10 EP disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
WO-2005095387-A1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-10-13 WO disclosed
US-6117821-A COMPRISING HERBICIDES AND AGRONOMICALLY ACCEPTABLE CARRIERS; USE THEREOF AS BROAD SPECTRUM HERBICIDES WHICH ARE EFFECTIVE AGAINST BOTH MONOCOT AND DICOT WEED SPECIES IN BOTH PREEMERGENCE AND POSTEMERGENCE APPLICATIONS ROHM AND HAAS COMPANY (US) 2000-09-12 US disclosed
US-4749407-A N-propargyl-N-(2-trifluoromethylbenzoyl)-3-substituted benzenesulfonamide and selective herbicide containing the same as an active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-06-07 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 (1 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KMT2A 1384/4885ALDH1A1 3901/4885KAT6A 1088/4885

“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.