SCHEMBL1092741

SCHEMBL1092741

NC(=O)c1c(N2C=Cn3c(nc4c3NCCC4=O)C2)c2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.33
PER2 O15055 3/20 0.32
CRY2 Q49AN0 2/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.31
TBXA2R P21731 2/20 0.31
BCHE P06276 1/20 0.31
TBXAS1 P24557 1/20 0.31
IDO1 P14902 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CYP1A2 P05177 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL1093261 0.84 PTGDR2 (0.33) PTGDR2PER2PIK3R1PIK3CAPOLB
SCHEMBL1094300 0.81 PER2 (0.34) PTGDR2PER2CRY2POLBMAPT
SCHEMBL1092740 0.76 F10 (0.38) MAPT
SCHEMBL1093308 0.67 BCHE (0.37) PTGDR2PIK3R1PIK3CAPOLBMAPT
SCHEMBL3805659 0.63 POLB (0.56) POLBMAPTIDO1HDAC1HDAC6
SCHEMBL27808836 0.63 CHEK1 (0.42) PTGDR2POLBMAPTIDO1
SCHEMBL28812043 0.61 POLB (0.54) POLBMAPTIDO1HDAC1HDAC6
SCHEMBL926655 0.60 POLB (0.57) PTGDR2POLBMAPTIDO1CYP1A2
SCHEMBL926357 0.59 F10 (0.61) MAPTIDO1
SCHEMBL28811490 0.57 POLB (0.53) POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 PTGDR2 1067/4885PER2 3042/4885CRY2 1142/4885

“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.