SCHEMBL20550264

SCHEMBL20550264

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N=C(N)N2CCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 10/20 0.38
PIK3CD O00329 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 3/20 0.36
FAAH O00519 1/20 0.36
TNF P01375 1/20 0.34
NOD1 Q9Y239 1/20 0.34
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
CDK4 P11802 3/20 0.33
CDK2 P24941 3/20 0.33
AURKA O14965 2/20 0.33

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
SCHEMBL20550439 0.93 PIK3CA (0.35) KDM4EMEN1KMT2APIK3CAPIK3CD
SCHEMBL20550443 0.92 CNR1 (0.38) KDM4EPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20550441 0.80 RAB9A (0.38) KDM4ELMNAKMT2ATNFNOD1
SCHEMBL20550266 0.80 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGCDK4
SCHEMBL20550262 0.76 TNF (0.39) KDM4EMEN1LMNAKMT2APIK3CA
SCHEMBL20550300 0.75 CDK4 (0.58) KDM4ETNFNOD1GLAGAA
SCHEMBL20550307 0.73 CDK2 (0.43) KDM4EPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20550303 0.72 CDK2 (0.46) KDM4ETNFNOD1GLAGAA
SCHEMBL20550270 0.72 TNF (0.43) KDM4ELMNATNFNOD1GLA
SCHEMBL20550275 0.72 CDK2 (0.48) KDM4ETNFNOD1GLAGAA

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 1008/4885HTT 2765/4885MEN1 3579/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP KDM4E 938/4885HTT 3052/4885MEN1 3732/4885

“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.