SCHEMBL168806

SCHEMBL168806

CCSc1cnccc1-c1nc2cc(C(F)(F)F)ccc2n1C1CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.59
HTR6 P50406 1/20 0.59
CYP11B2 P19099 12/20 0.49
CYP11B1 P15538 9/20 0.49
USP2 O75604 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
PDE2A O00408 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CYP19A1 P11511 1/20 0.40
MCHR1 Q99705 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL167581 0.89 HTR2B (0.62) HTR2BHTR6CYP11B2CYP11B1USP2
SCHEMBL10248916 0.87 CYP11B2 (0.48) HTR2BHTR6CYP11B2CYP11B1MCHR1
SCHEMBL166988 0.85 AGPAT2 (0.42) HTR2BHTR6CYP11B2CYP11B1SMN1; SMN2
SCHEMBL168295 0.82 HTR2B (0.67) HTR2BHTR6CYP11B2CYP11B1CYP19A1
SCHEMBL4448746 0.82 HTR2B (0.67) HTR2BHTR6CYP11B2CYP11B1USP2
SCHEMBL168857 0.82 HTR2B (0.58) HTR2BHTR6CYP11B2CYP11B1USP2
SCHEMBL169729 0.81 HTR2B (0.57) HTR2BHTR6CYP11B2CYP11B1USP2
SCHEMBL169511 0.79 HTR2B (0.60) HTR2BHTR6CYP11B2CYP11B1USP2
SCHEMBL169054 0.79 HTR2B (0.60) HTR2BHTR6CYP11B2CYP11B1USP2
SCHEMBL10284415 0.78 HTR2B (0.45) HTR2BHTR6CYP11B2CYP11B1USP2

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 11 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-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-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
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
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 HTR2B 1974/4885HTR6 3015/4885CYP11B2 611/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 HTR2B 1974/4885HTR6 3015/4885CYP11B2 611/4885

“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.