SCHEMBL169019

SCHEMBL169019

Cn1c(-c2ccnc(Cl)c2)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
KIT P10721 2/20 0.45
AGPAT2 O15120 1/20 0.44
GRM2 Q14416 1/20 0.42
HTR2B P41595 1/20 0.41
HTR6 P50406 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PDE2A O00408 2/20 0.39
PDE10A Q9Y233 1/20 0.39
PKM P14618 1/20 0.39
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL169462 0.86 SYK (0.47) S1PR1KITAGPAT2HTR2BHTR6
SCHEMBL167098 0.83 MEN1 (0.57) KITAGPAT2HTR2BHTR6MEN1
SCHEMBL10252536 0.83 AGPAT2 (0.46) KITAGPAT2MEN1KMT2A
SCHEMBL17383129 0.79 AGPAT2 (0.49) AGPAT2GRM2MEN1KMT2APDE2A
SCHEMBL29497543 0.79 AGPAT2 (0.49) AGPAT2GRM2MEN1KMT2APDE2A
SCHEMBL17896626 0.76 HTR2B (0.67) KITHTR2BHTR6
SCHEMBL10175602 0.75 HTR2B (0.51) KITAGPAT2HTR2BHTR6MEN1
SCHEMBL1748120 0.75 SMN1; SMN2 (0.53) AGPAT2GRM2MEN1KMT2APDE2A
SCHEMBL167798 0.74 CA12 (0.44) S1PR1KITAGPAT2GRM2HTR2B
SCHEMBL169419 0.74 AGPAT2 (0.48) KITAGPAT2GRM2HTR2BHTR6

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 20 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-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-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-2012057265-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
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 2765/4885S1PR3 2719/4885KIT 2340/4885
US-20120015975-A1 FUSED HETEROCYCLIC COMPOUND AND USE THEREOF C3AR1, C9, C5 S1PR1 2765/4885S1PR3 2719/4885KIT 2340/4885

“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.