Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569256

SCHEMBL4569256

SCHEMBL4569256

Cc1nc(CCC(C)(C)C)cs1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.44
▸ SLC6A3 Q01959 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL18995634 0.83 PKM (0.41) PKMSLC6A3GAASMN1; SMN2ALDH1A1
SCHEMBL10031019 0.83 PKM (0.51) PKMSLC6A3GAASMN1; SMN2ALDH1A1
SCHEMBL1912692 0.79 GAA (0.44) PKMSLC6A3GAASMN1; SMN2ALDH1A1
SCHEMBL26351707 0.77 CCR4 (0.33) SLC6A3
SCHEMBL14393427 0.77 — —
SCHEMBL1107413 0.77 — —
SCHEMBL19220757 0.76 PKM (0.41) PKMSLC6A3GAASMN1; SMN2ALDH1A1
SCHEMBL19006341 0.76 SMN1; SMN2 (0.46) PKMGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL2642121 0.75 — —
SCHEMBL1107385 0.75 — —

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 — — US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 — — US disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 — — US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 — — US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 — — US disclosed
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2013-10-10 — — US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 — — US disclosed
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-02-07 — — US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 — — US disclosed
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, LLC (US) 2013-01-31 — — US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 — — US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 — — US disclosed
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC (US) 2012-11-22 — — US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 — — 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 (11 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PKM 504/4885SLC6A3 4343/4885GAA 423/4885
US-20130029982-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PKM 309/4885SLC6A3 4466/4885GAA 404/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PKM 309/4885SLC6A3 4466/4885GAA 404/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB PKM 504/4885SLC6A3 4343/4885GAA 423/4885
US-20130035324-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PKM 504/4885SLC6A3 4343/4885GAA 423/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PKM 504/4885SLC6A3 4343/4885GAA 423/4885
US-20130267521-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PKM 309/4885SLC6A3 4466/4885GAA 404/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PKM 504/4885SLC6A3 4343/4885GAA 423/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PKM 504/4885SLC6A3 4343/4885GAA 423/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PKM 640/4885SLC6A3 4342/4885GAA 614/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 PKM 624/4885SLC6A3 3545/4885GAA 315/4885

“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.