SCHEMBL10109754

SCHEMBL10109754

Cc1csc(CC(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NOS1 P29475 1/20 0.41
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
GAA P10253 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE10A Q9Y233 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 1/20 0.33
GLA P06280 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL26563916 0.82 SMN1; SMN2 (0.38) SMN1; SMN2NOS1RAB9ANPC1GAA
SCHEMBL8751692 0.80 NUDT1 (0.37) SMN1; SMN2NOS1RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL8682198 0.80 NUDT1 (0.37) SMN1; SMN2NOS1RAB9ANPC1GAA
SCHEMBL24445390 0.80 GAA (0.36) SMN1; SMN2NOS1RAB9ANPC1GAA
SCHEMBL21325318 0.78 CCR4 (0.43) ALDH1A1SLC6A3
SCHEMBL4700565 0.78 CNR2 (0.31)
SCHEMBL2736380 0.77 HTR1A (0.41) SMN1; SMN2RAB9ANPC1KMT2AMAPK1
SCHEMBL19590951 0.77 SMN1; SMN2 (0.48) SMN1; SMN2NOS1RAB9ANPC1GAA
SCHEMBL26351707 0.76 CCR4 (0.33) SLC6A3
SCHEMBL12775963 0.75 SLC6A3 (0.36) RAB9ANPC1GAAMAPK1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-10-19 US disclosed
US-20230151039-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-18 US disclosed
US-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-02-16 US disclosed
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 US disclosed
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AMGEN INC. (US) 2021-12-07 US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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 (12 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-20230045960-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C SMN1; SMN2 1012/4885NOS1 3932/4885RAB9A 3336/4885
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C SMN1; SMN2 1012/4885NOS1 3932/4885RAB9A 3336/4885
US-11191762-B2 Alkyl substituted triazole compounds as agonists of the APJ Receptor AGTR1, AGTR2, APLNR SMN1; SMN2 4701/4885NOS1 3609/4885RAB9A 1103/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 2243/4885NOS1 4139/4885RAB9A 32/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS SMN1; SMN2 1888/4885NOS1 4325/4885RAB9A 33/4885
US-20230337520-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LBR, LPO, LPL SMN1; SMN2 3111/4885NOS1 2487/4885RAB9A 506/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C SMN1; SMN2 1012/4885NOS1 3932/4885RAB9A 3336/4885
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SMN1; SMN2 3788/4885NOS1 704/4885RAB9A 1388/4885
US-20190290647-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, APLNR SMN1; SMN2 4701/4885NOS1 3609/4885RAB9A 1103/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 SMN1; SMN2 4707/4885NOS1 3695/4885RAB9A 3451/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 SMN1; SMN2 1080/4885NOS1 2135/4885RAB9A 1466/4885
US-20230151039-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RPS4X, SOD1, CNKSR1 SMN1; SMN2 2592/4885NOS1 1853/4885RAB9A 791/4885

“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.