SCHEMBL175440

SCHEMBL175440

CCC(C)n1c(-c2ccncc2)nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.46
CYP2C19 P33261 1/20 0.46
RORC P51449 3/20 0.42
PDE10A Q9Y233 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP11B1 P15538 2/20 0.42
PDE2A O00408 2/20 0.42
PDE7A Q13946 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
KIF11 P52732 1/20 0.39
BRD4 O60885 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
SCHEMBL169563 0.91 HTR2B (0.42) S1PR1CYP2C19RORCAAK1KIF11
SCHEMBL10249356 0.84 AAK1 (0.44) RORCCYP11B2CYP11B1PDE2AAAK1
SCHEMBL175557 0.80 S1PR1 (0.54) S1PR1CYP2C19PDE10ACYP11B2CYP11B1
SCHEMBL175367 0.78 MEN1 (0.57) S1PR1CYP2C19PDE10ACYP11B2CYP11B1
SCHEMBL356842 0.78 S1PR1 (0.47) S1PR1CYP2C19PDE10ACYP11B2CYP11B1
SCHEMBL355696 0.78 USP2 (0.47) S1PR1CYP2C19PDE10ACYP11B2CYP11B1
SCHEMBL10284686 0.77 JAK2 (0.41) S1PR1CYP2C19RORC
SCHEMBL10252663 0.76 NLRP3 (0.47) RORCAAK1BRD4
SCHEMBL175221 0.73 NLRP3 (0.52) S1PR1CYP2C19CYP11B2CYP11B1AAK1
SCHEMBL174496 0.72 JAK2 (0.46) S1PR1CYP2C19RORCAAK1KIF11

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 19 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
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
WO-2012057265-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057266-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057269-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057264-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057273-A1 HARMFUL ANIMAL CONTROL COMPOSITION AND METHOD FOR CONTROLLING HARMFUL ANIMALS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057260-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO disclosed
WO-2012057268-A1 PEST CONTROL COMPOSITION AND METHOD FOR CONTROLLING PESTS 住友化学株式会社 (JP) 2012-05-03 WO 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 S1PR1 2765/4885CYP2C19 910/4885RORC 1366/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 S1PR1 2765/4885CYP2C19 910/4885RORC 1366/4885

“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.