SCHEMBL167798

SCHEMBL167798

Cn1c(-c2cc[n+]([O-])cc2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
S1PR1 P21453 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL355769 0.83 PDE2A (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL167098 0.82 MEN1 (0.57) CA12CA1CA2CA9KDM4E
SCHEMBL10248879 0.82 CA1 (0.49) CA12CA1CA2CA9KDM4E
SCHEMBL357048 0.80 POLB (0.43) S1PR1KDM4EMEN1KMT2ANPC1
SCHEMBL28004752 0.78 CA1 (0.55) CA12CA1CA2CA9KDM4E
SCHEMBL10175602 0.77 HTR2B (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL28004750 0.77 CA12 (0.43) CA12CA1CA2CA9KDM4E
SCHEMBL28063011 0.76 PTGDR2 (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL17896628 0.75 HTR2B (0.46) CA12CA1CA2CA9KDM4E
SCHEMBL169462 0.75 SYK (0.47) CA12CA1CA2CA9S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424856-B1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-31 EP disclosed
US-8461181-B2 Fused heterocyclic compound and use thereof SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2013-06-11 US disclosed
US-8273764-B2 Fused heterocyclic compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-25 US disclosed
US-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-07-12 US disclosed
EP-2424856-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 US disclosed
WO-2010125985-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 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 (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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 CA12 3308/4885CA1 2069/4885CA2 3296/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 CA12 3308/4885CA1 2069/4885CA2 3296/4885

“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.