SCHEMBL20550262

SCHEMBL20550262

Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N2CCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CA P42336 2/20 0.35
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CDK2 P24941 3/20 0.34
CDK4 P11802 2/20 0.34
CCNE1 P24864 1/20 0.34

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
SCHEMBL20550109 0.90 PIK3CA (0.46) DYRK1AMEN1KMT2APIK3CAPIK3CD
SCHEMBL20550268 0.86 PIK3CA (0.37) TNFNOD1KDM4ERAB9AGLA
SCHEMBL20550433 0.80 HRH3 (0.39) KDM4ERAB9AGLAGAAL3MBTL1
SCHEMBL20550300 0.79 CDK4 (0.58) TNFNOD1KDM4ERAB9AGLA
SCHEMBL20550270 0.78 TNF (0.43) TNFNOD1KDM4ERAB9AGLA
SCHEMBL20550275 0.78 CDK2 (0.48) TNFNOD1KDM4ERAB9AGLA
SCHEMBL20550287 0.77 TNF (0.42) TNFNOD1KDM4ERAB9AGLA
SCHEMBL29011645 0.76 CDK2 (0.52) KDM4ERAB9AGAADYRK1AMEN1
SCHEMBL30476463 0.76 CDK2 (0.52) KDM4ERAB9AGAADYRK1AMEN1
SCHEMBL20550303 0.76 CDK2 (0.46) TNFNOD1KDM4ERAB9AGLA

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 TNF 3808/4885NOD1 723/4885KDM4E 1008/4885
US-10414759-B2 Phenylthiazoles and uses thereof TPMT, TST, CLPP TNF 3975/4885NOD1 643/4885KDM4E 938/4885

“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.