SCHEMBL4544449

SCHEMBL4544449

Cc1ccc2oc(-c3ccncc3)nc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.44
PIK3CA P42336 1/20 0.44
HSD17B10 Q99714 4/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TP53 P04637 3/20 0.40
MAPT P10636 3/20 0.40
PKM P14618 1/20 0.39
PPARG P37231 2/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 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
SCHEMBL19472051 0.82 UTRN (0.44) HSD17B10NPC1RAB9AKDM4EHPGD
SCHEMBL12689381 0.81 PIK3CB (0.44) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL1026627 0.78 PIK3CB (0.41) PIK3CBPIK3CAHSD17B10TSHRKDM4E
SCHEMBL21474634 0.73 RARA (0.46) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL11964149 0.71 PIK3CB (0.54) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL4544531 0.71 PIK3CB (0.54) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL26450514 0.71 MKNK2 (0.47) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL1075037 0.69 PIK3CB (0.47) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL26450459 0.69 AHR (0.48) PIK3CBPIK3CAHSD17B10TSHRNPC1
SCHEMBL1025686 0.68 KDM4E (0.78) PIK3CBPIK3CAHSD17B10TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-8242133-B2 Arthropod pest control compositions comprising substituted oxazolo [5,4-b ] pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 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 (7 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-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R PIK3CB 3018/4885PIK3CA 3286/4885HSD17B10 1028/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R PIK3CB 3018/4885PIK3CA 3286/4885HSD17B10 1028/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC PIK3CB 3076/4885PIK3CA 4137/4885HSD17B10 774/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S PIK3CB 3061/4885PIK3CA 3358/4885HSD17B10 1290/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 PIK3CB 3057/4885PIK3CA 3060/4885HSD17B10 1384/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC PIK3CB 1290/4885PIK3CA 2687/4885HSD17B10 383/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 PIK3CB 2434/4885PIK3CA 2798/4885HSD17B10 921/4885

“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.