SCHEMBL4452215

SCHEMBL4452215

COC(=O)CSc1cnccc1-c1nc2cc(C)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 2/20 0.38
PRNP P04156 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10284741 0.88 AGPAT2 (0.46) AGPAT2SMN1; SMN2POLBALDH1A1KDM4E
SCHEMBL10249098 0.85 POLB (0.41) SMN1; SMN2MAPTHSD17B10NPC1RAB9A
SCHEMBL10248957 0.82 SMN1; SMN2 (0.43) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10249152 0.82 SMN1; SMN2 (0.44) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10249110 0.80 SMN1; SMN2 (0.40) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10249343 0.79 TSHR (0.42) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10249306 0.79 SMN1; SMN2 (0.40) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10249150 0.79 TLR8 (0.41) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10252630 0.79 POLB (0.40) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1
SCHEMBL10249017 0.79 MAPT (0.40) AGPAT2SMN1; SMN2MAPTHSD17B10NPC1

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
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
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-2012057268-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-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-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
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-19 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-20120178779-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AGPAT2 3286/4885SMN1; SMN2 1524/4885MAPT 4423/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 AGPAT2 3286/4885SMN1; SMN2 1524/4885MAPT 4423/4885

“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.