SCHEMBL1093308

SCHEMBL1093308

NC(=O)c1c(-c2ccn3c4c(nc3c2)CCCN4)c2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
TBXA2R P21731 3/20 0.34
TBXAS1 P24557 2/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
FABP3 P05413 1/20 0.33
HK1 P19367 1/20 0.33
HTT P42858 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
FABP4 P15090 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
TP53 P04637 2/20 0.32
HTR6 P50406 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
F10 P00742 1/20 0.31

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
SCHEMBL1093306 0.76 F10 (0.39) PTGDR2F10
SCHEMBL27808836 0.69 CHEK1 (0.42) MAPTPOLBPTGDR2SERPINE1
SCHEMBL1092741 0.67 PTGDR2 (0.33) BCHETBXA2RTBXAS1PIK3R1PIK3CA
SCHEMBL1093261 0.66 PTGDR2 (0.33) PIK3R1PIK3CAMAPTPOLBFABP3
SCHEMBL1094300 0.65 PER2 (0.34) TBXA2RTBXAS1MAPTPOLBHK1
SCHEMBL11968428 0.65 GRIN1 (0.41) POLBTP53
SCHEMBL3805659 0.64 POLB (0.56) MAPTPOLBHDAC1HDAC6ALDH1A1
SCHEMBL27808910 0.64 TNIK (0.53)
SCHEMBL1092733 0.64 F10 (0.39) MAPTPTGDR2TP53F10
SCHEMBL27829381 0.64 TNIK (0.51) PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 BCHE 316/4885TBXA2R 270/4885TBXAS1 1305/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 BCHE 316/4885TBXA2R 270/4885TBXAS1 1305/4885

“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.