SCHEMBL1093306

SCHEMBL1093306

O=C(Nc1ccn2c3c(nc2c1)CCCN3)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.39
MAOB P27338 1/20 0.39
ECE1 P42892 6/20 0.38
ABCB1 P08183 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
CCR2 P41597 1/20 0.36
PPARG P37231 1/20 0.34
RPS6KA3 P51812 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL1093763 0.87 F10 (0.41) F10MAOBECE1ABCB1PTGDR2
SCHEMBL829963 0.87 F10 (0.41) F10MAOBECE1ABCB1PTGDR2
SCHEMBL975576 0.81 ECE1 (0.47) F10MAOBECE1ABCB1PTGDR2
SCHEMBL832765 0.81 ECE1 (0.44) F10MAOBECE1PTGDR2CCR2
SCHEMBL1092733 0.80 F10 (0.39) F10ECE1ABCB1PTGDR2CCR2
SCHEMBL3150050 0.80 PYGL (0.47) F10MAOBECE1ABCB1PTGDR2
SCHEMBL831541 0.79 CCR2 (0.40) F10MAOBECE1ABCB1PTGDR2
SCHEMBL974067 0.77 ECE1 (0.47) F10MAOBECE1ABCB1PTGDR2
SCHEMBL1093308 0.76 BCHE (0.37) F10PTGDR2
SCHEMBL975637 0.76 F10 (0.43) F10MAOBECE1ABCB1PTGDR2

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 F10 2203/4885MAOB 59/4885ECE1 1971/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 F10 2203/4885MAOB 59/4885ECE1 1971/4885

“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.