SCHEMBL3762032

SCHEMBL3762032

CC1(C)CC(=O)c2sc(N)c(C#N)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.44
MAPT P10636 9/20 0.43
MEN1 O00255 8/20 0.43
KMT2A Q03164 8/20 0.43
KDM4E B2RXH2 8/20 0.43
HSD17B10 Q99714 6/20 0.43
HPGD P15428 6/20 0.43
CASP1 P29466 5/20 0.43
GAA P10253 5/20 0.43
ALOX15 P16050 4/20 0.43
CASP7 P55210 3/20 0.43
ALOX12 P18054 1/20 0.43
THRB P10828 1/20 0.40
BPTF Q12830 3/20 0.39
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.37
PABPC1 P11940 1/20 0.37
KRAS P01116 2/20 0.37
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3762149 0.81 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4513958 0.79 GABRG2 (0.46) ALDH1A1HSD17B10POLBSMN1; SMN2
SCHEMBL4045538 0.74 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4002488 0.73 PIK3CA (0.49) ALDH1A1MAPTKDM4EHSD17B10HPGD
SCHEMBL3765697 0.72 BPTF (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL19140495 0.70 BPTF (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4051254 0.67 ALDH1A1 (0.64) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9722740 0.67 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL24421929 0.64 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8827527 0.64 HPGD (0.42) ALDH1A1MAPTMEN1KMT2AKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US disclosed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO disclosed
EP-2029570-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-04 EP disclosed
WO-2007141504-A1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2007-12-13 WO disclosed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP disclosed
EP-0150319-B1 COLOUR-PHOTOGRAPHIC RECORDING MATERIAL WITH A BLUE-GREEN DYE RELEASING COMPOUND, THE COLOUR IMAGE OBTAINED BY MEANS OF THIS DYE AND THE DYE ITSELF Agfa-Gevaert AG (DE) 1987-07-01 EP disclosed
US-4579805-A DIFFUSION TRANSFER AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1986-04-01 US disclosed
EP-0150319-A2 Colour-photographic recording material with a blue-green dye releasing compound, the colour image obtained by means of this dye and the dye itself Agfa-Gevaert AG (DE) 1985-08-07 EP 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-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 ALDH1A1 3718/4885MAPT 4324/4885MEN1 1220/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA ALDH1A1 3061/4885MAPT 790/4885MEN1 2762/4885

“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.