SCHEMBL20550271

SCHEMBL20550271

CCCCc1ccc(-c2nc(C)c(-c3ccn4ncnc4n3)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
RAB9A P51151 6/20 0.37
COMT P21964 2/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD11B1 P28845 2/20 0.35
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
NPC1 O15118 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
SPNS2 Q8IVW8 2/20 0.32
ALOX5 P09917 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL21360219 0.86 KDM4E (0.35) KDM4ERAB9ACOMTALDH1A1NPC1
SCHEMBL20550274 0.77 COMT (0.41) KDM4ERAB9ACOMTALDH1A1HSD11B1
SCHEMBL20550293 0.74 CDK4 (0.54) KDM4ERAB9ACOMTALDH1A1NPC1
SCHEMBL20550308 0.74 KDM4E (0.36) KDM4ERAB9ACOMTALDH1A1HSD11B1
SCHEMBL20550291 0.73 CDK2 (0.46) COMT
SCHEMBL20550693 0.73 KDM4E (0.40) KDM4ERAB9ACOMTALDH1A1HSD11B1
SCHEMBL20550428 0.72 CDK2 (0.41) KDM4ERAB9ACOMTL3MBTL1GAA
SCHEMBL20550433 0.72 HRH3 (0.39) KDM4ERAB9ACOMTALDH1A1HSD11B1
SCHEMBL20550442 0.71 COMT (0.39) KDM4ERAB9ACOMTALDH1A1NPC1
SCHEMBL20550696 0.69 MKNK2 (0.39) KDM4ERAB9ACOMTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414759-B2 Phenylthiazoles and uses thereof PURDUE RESEARCH FOUNDATION (US) 2019-09-17 US disclosed
US-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2018-11-08 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-20180319784-A1 PHENYLTHIAZOLES AND USES THEREOF TPMT, TST, CLPP KDM4E 1008/4885RAB9A 4466/4885COMT 713/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP KDM4E 938/4885RAB9A 4396/4885COMT 776/4885

“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.