SCHEMBL20550693

SCHEMBL20550693

CCCCc1ccc(-c2nc(C)c(-c3ccnc(SC)n3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
COMT P21964 2/20 0.40
RAB9A P51151 6/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
PIK3CA P42336 2/20 0.36
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK4 P11802 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL20550293 0.84 CDK4 (0.54) KDM4EL3MBTL1MAPK1COMTRAB9A
SCHEMBL20550274 0.84 COMT (0.41) KDM4EL3MBTL1MAPK1NPSR1COMT
SCHEMBL20550291 0.83 CDK2 (0.46) COMTCDK4CDK2MKNK2
SCHEMBL20550428 0.81 CDK2 (0.41) KDM4EL3MBTL1COMTRAB9AGLA
SCHEMBL20550287 0.80 TNF (0.42) KDM4EL3MBTL1MAPK1NPSR1COMT
SCHEMBL20550442 0.80 COMT (0.39) KDM4EL3MBTL1COMTRAB9AGLA
SCHEMBL20550696 0.78 MKNK2 (0.39) KDM4EL3MBTL1COMTRAB9AGLA
SCHEMBL20550326 0.78 ALDH1A1 (0.47) KDM4EL3MBTL1NPSR1COMTRAB9A
SCHEMBL20550433 0.78 HRH3 (0.39) KDM4EL3MBTL1COMTRAB9AGLA
SCHEMBL20550269 0.78 CDK2 (0.40) COMTCDK4CCNE1CDK2MKNK2

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 3 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-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 1008/4885L3MBTL1 398/4885MAPK1 3294/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP KDM4E 938/4885L3MBTL1 361/4885MAPK1 3219/4885

“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.