SCHEMBL12737784

SCHEMBL12737784

CC(C)(C)c1cnc(-c2ncc(C(C)(C)C)s2)s1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL18895888 0.85 — —
SCHEMBL10311038 0.80 CDC7 (0.45) PIK3CG
SCHEMBL23367909 0.78 SMN1; SMN2 (0.47) —
SCHEMBL7229326 0.78 HDAC1 (0.31) —
SCHEMBL1774876 0.77 PDPK1 (0.32) PDPK1
SCHEMBL5121295 0.77 HCAR2 (0.40) PDPK1
SCHEMBL1754099 0.77 SLC6A3 (0.36) PDPK1
SCHEMBL1207028 0.77 ALDH1A1 (0.44) —
SCHEMBL17773144 0.75 KDM4E (0.45) —
SCHEMBL21654019 0.75 KDM4E (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400253-B1 DITHIOPHENETHIADIAZOLE SEMICONDUCTORS AND RELATED DEVICES FLEXTERRA INC (US) 2023-10-04 — — EP disclosed
US-20170233384-A1 Thienothiadiazole Compounds and Related Semiconductor Devices USINVEST LLC 2017-08-17 — — US disclosed
WO-2017120572-A1 DITHIOPHENETHIADIAZOLE SEMICONDUCTORS AND RELATED DEVICES FLEXTERRA, INC. (US) 2017-07-13 — — WO disclosed
US-RE44304-E1 Conjugated monomers and polymers and preparation and use thereof NORTHWESTERN UNIVERSITY (US) 2013-06-18 — — US disclosed
US-7928249-B2 Conjugated monomers and polymers and preparation and use thereof NORTHWESTERN UNIVERSITY (US) 2011-04-19 — — US disclosed
US-20090036643-A1 Conjugated monomers and polymers and preparation and use thereof NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2009-02-05 — — 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-20170233384-A1 Thienothiadiazole Compounds and Related Semiconductor Devices TST, SLC19A2, TPST2 PDPK1 2634/4885CDK2 228/4885PIK3CG 2638/4885
US-20090036643-A1 Conjugated monomers and polymers and preparation and use thereof PCNA, HMGB1, HMGB3 PDPK1 4256/4885CDK2 1825/4885PIK3CG 2740/4885

“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.

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