SCHEMBL232983

SCHEMBL232983

CCN(C)c1nc(C)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
NOS1 P29475 1/20 0.40
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SLC12A5 Q9H2X9 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
GAA P10253 3/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL685578 0.83 SMN1; SMN2 (0.43) SMN1; SMN2NOS1KMT2AMEN1SLC12A5
SCHEMBL13634342 0.80 NOS1 (0.38) SMN1; SMN2NOS1KMT2AMEN1SLC12A5
SCHEMBL3506347 0.79 MAPK1 (0.42) SMN1; SMN2NOS1KMT2AMEN1SLC12A5
SCHEMBL770846 0.78
SCHEMBL18708880 0.78 MEN1 (0.32) SMN1; SMN2NOS1KMT2AMEN1
SCHEMBL18674691 0.76 ALDH1A1 (0.35) SMN1; SMN2NOS1KMT2AMEN1SLC12A5
SCHEMBL3556009 0.76 NOS1 (0.34) SMN1; SMN2NOS1KMT2ASLC12A5KDM4E
SCHEMBL13634391 0.76 NOS1 (0.34) SMN1; SMN2NOS1KMT2AMEN1SLC12A5
SCHEMBL22334912 0.75 SMN1; SMN2 (0.40) SMN1; SMN2NOS1KMT2AMEN1KDM4E
SCHEMBL179323 0.75 UCHL1 (0.38) KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 US disclosed
EP-3613743-B1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES INTELLIKINE LLC (US) 2022-03-16 EP disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 US disclosed
EP-3613743-A1 PROCESSES FOR THE PREPARATION OF 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES Intellikine, LLC (US) 2020-02-26 EP disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
EP-3441392-A1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION Intellikine, LLC (US) 2019-02-13 EP disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-8207337-B2 Reagent for organic synthesis reaction containing organic triol borate salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-26 US disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-08 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO 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 (8 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB SMN1; SMN2 3325/4885NOS1 4084/4885KMT2A 2988/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA SMN1; SMN2 2183/4885NOS1 2561/4885KMT2A 2628/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SMN1; SMN2 2859/4885NOS1 3909/4885KMT2A 3867/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SMN1; SMN2 2859/4885NOS1 3909/4885KMT2A 3867/4885
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA SMN1; SMN2 1812/4885NOS1 3902/4885KMT2A 2089/4885
US-20100087646-A1 REAGENT FOR ORGANIC SYNTHESIS REACTION CONTAINING ORGANIC TRIOL BORATE SALT ORC3, OXSR1, OSTC SMN1; SMN2 3837/4885NOS1 1806/4885KMT2A 3375/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SMN1; SMN2 2859/4885NOS1 3909/4885KMT2A 3867/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A SMN1; SMN2 2859/4885NOS1 3909/4885KMT2A 3867/4885

“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.