SCHEMBL2810078

SCHEMBL2810078

CCN(C(=O)c1csc(C2CCN(C(=O)OCc3ccc(Cl)cc3)CC2)n1)c1ccc2[nH]c(N)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.37
TRPC7 Q9HCX4 1/20 0.37
GRIN2B Q13224 2/20 0.37
ENPP2 Q13822 11/20 0.36
ATXN2 Q99700 1/20 0.35
KCNH2 Q12809 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 1/20 0.34
FAAH O00519 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL2810075 0.82 ENPP2 (0.42) TRPC3TRPC7GRIN2BENPP2ATXN2
SCHEMBL2806519 0.78 ENPP2 (0.36) TRPC3TRPC7GRIN2BENPP2ATXN2
SCHEMBL2806515 0.73 ENPP2 (0.42) TRPC3TRPC7GRIN2BENPP2ATXN2
SCHEMBL2809961 0.73 ENPP2 (0.42) TRPC3TRPC7ENPP2KCNH2
SCHEMBL16927744 0.72 SLC40A1 (0.36) ENPP2CNR1MAPT
SCHEMBL2809066 0.72 GRIN2B (0.47) TRPC3TRPC7GRIN2BENPP2LMNA
SCHEMBL2806832 0.72 JAK2 (0.44) TRPC3TRPC7ENPP2
SCHEMBL2809050 0.71 ENPP2 (0.43) TRPC3TRPC7ENPP2ATXN2LMNA
SCHEMBL2806643 0.70 ENPP2 (0.43) TRPC3TRPC7ENPP2CNR1CNR2
SCHEMBL2805845 0.70 ROCK2 (0.48) ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed

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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 TRPC3 1740/4885TRPC7 2571/4885GRIN2B 320/4885

“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.