SCHEMBL3058253

SCHEMBL3058253

C#Cc1cn(C)nc1-c1ccccc1.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3054362 0.84 DYRK1A (0.41) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL6207971 0.81 SMN1; SMN2 (0.35) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL14403224 0.77 TSHR (0.63) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL15520407 0.76 POLB (0.32) TSHRMAPTRAB9AGAAGABRA1
SCHEMBL3754852 0.69 KMT2A (0.45) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL27464882 0.69 KDM4E (0.50) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL5541734 0.69 CSNK1D (0.57) KMT2AMAPK1BRAF
SCHEMBL26388364 0.69 KMT2A (0.45) TSHRMAPTALDH1A1KMT2AMEN1
SCHEMBL544412 0.67 KDM4E (0.47) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL3922875 0.67 L3MBTL1 (0.48) MAPTALDH1A1KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 EP claimed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 US claimed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 US claimed
EP-2173716-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI SA (FR) 2014-03-19 EP disclosed
US-8420812-B2 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI (FR) 2013-04-16 US disclosed
US-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2173716-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES Sanofi-Aventis (FR) 2010-04-14 EP disclosed
WO-2009003590-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH HETEROARYL TOSYLATES AND HETEROARYL BENZENESULFONATES SANOFI-AVENTIS (FR) 2009-01-08 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 (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-20100261900-A1 Process for the palladium-catalyzed coupling of terminal alkynes with heteroaryl tosylates and heteroaryl benzenesulfonates DDT, TYR, DDC TSHR 522/4885PIK3CD 758/4885PIK3CA 892/4885

“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.