SCHEMBL8799262

SCHEMBL8799262

CC(C)c1csc(-n2cccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.41
OGA O60502 1/20 0.39
CCR4 P51679 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM1 Q13255 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14445030 0.81 OGA (0.36) OGACCR4MEN1KMT2A
SCHEMBL179306 0.79 OGA (0.36) OGACYP1A2CYP2D6CYP2C9MEN1
SCHEMBL21721831 0.75 ALDH1A1 (0.53) KDM5BOGACCR4CYP1A2CYP2D6
SCHEMBL179321 0.75 PIM1 (0.38) KDM5BOGACCR4CYP1A2CYP2D6
SCHEMBL16014493 0.73 KDM5B (0.43) KDM5BMEN1POLBRAB9AKMT2A
SCHEMBL18101352 0.72 OGA (0.50) OGAMEN1POLBRAB9AKMT2A
SCHEMBL12869754 0.70 OGA (0.49) OGAMEN1POLBRAB9AKMT2A
SCHEMBL11703124 0.69 OGA (0.51) OGAMEN1POLBRAB9AKMT2A
Hydrochloric Acid SCHEMBL11700234 0.68 OGA (0.50) OGAMEN1POLBRAB9AKMT2A
SCHEMBL13996106 0.68 LMNA (0.58) OGAMEN1RAB9AKMT2A

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 26 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-10975084-B2 KDM5 inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-13 US disclosed
US-20200048258-A1 KDM5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 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-9682141-B2 Combination of kinase inhibitors and uses thereof INTELLIKINE LLC (US) 2017-06-20 US disclosed
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF INTELLIKINE LLC 2016-08-18 US disclosed
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2016-07-21 US disclosed
US-9359352-B2 Substituted benzimidazoles as PI3 kinase inhibitors INTELLIKINE LLC (US) 2016-06-07 US disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 US disclosed
US-20150158859-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2015-06-11 US disclosed
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-05-07 US disclosed
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF INTELLIKINE LLC 2015-01-29 US disclosed
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2013-10-03 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
EP-0554956-B1 Thiazolylpyrroles having a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1997-10-01 EP disclosed
EP-0554956-A1 Thiazolylpyrroles having a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP 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 (13 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 KDM5B 4327/4885OGA 1604/4885CCR4 3770/4885
US-20150030588-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF PIK3C3, ERBB3, ERBB2 KDM5B 2422/4885OGA 2066/4885CCR4 3083/4885
US-20150126506-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM5B 4132/4885OGA 1278/4885CCR4 3085/4885
US-20160207940-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM5B 4132/4885OGA 1278/4885CCR4 3085/4885
US-20200048258-A1 KDM5 INHIBITORS KDM5A, KDM5B, KDM5C KDM5B 2/4885OGA 3705/4885CCR4 4014/4885
US-20150158859-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM5B 4327/4885OGA 1604/4885CCR4 3770/4885
US-10975084-B2 KDM5 inhibitors KDM5A, KDM5B, KDM5C KDM5B 2/4885OGA 3705/4885CCR4 4014/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB KDM5B 4327/4885OGA 1604/4885CCR4 3770/4885
US-20160235758-A1 COMBINATION OF MTOR INHIBITORS AND PI3-KINASE INHIBITORS, AND USES THEREOF MTOR, RPTOR, RICTOR KDM5B 4203/4885OGA 2249/4885CCR4 4290/4885
US-20130261102-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM5B 4327/4885OGA 1604/4885CCR4 3770/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD KDM5B 4745/4885OGA 2430/4885CCR4 3868/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM5B 4401/4885OGA 2002/4885CCR4 4035/4885
US-20120294930-A1 COMBINATION OF KINASE INHIBITORS AND USES THEREOF MTOR, AKT2, MTMR1 KDM5B 3990/4885OGA 1770/4885CCR4 4193/4885

“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.