SCHEMBL1829347

SCHEMBL1829347

CCOC(=O)Cc1cnc(N)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 4/20 0.47
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
NOS1 P29475 1/20 0.40
CYP1A2 P05177 1/20 0.40
DPP4 P27487 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39

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
Hydrochloric Acid SCHEMBL7250096 0.98 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL16086477 0.84 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL11566214 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL1636834 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
Bromide SCHEMBL15825597 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
Hydrochloric Acid SCHEMBL7249126 0.83 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL7453226 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
Bromide SCHEMBL1636830 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL999630 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB
SCHEMBL18696308 0.81 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1TSHRL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150340-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2024-05-09 US disclosed
WO-2024077216-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS INCORPORATED (US) 2024-04-11 WO disclosed
CN-115403558-A Aromatic heterocyclic compound with antitumor activity and preparation method and application thereof 河南真实生物科技有限公司 2022-11-29 CN disclosed
WO-2022148196-A1 MULTIKINASE INHIBITOR AND USE THEREOF 苏州安睿药业有限公司 2022-07-14 WO disclosed
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
EP-3526206-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-21 EP disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 US disclosed
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications CALIFORNIA CAPITAL EQUITY, LLC (CA) 2012-09-20 US disclosed
CN-1267431-C Substituted quinazoline derivatives and their use as inhibitors ASTRAZENECA AB (SE) 2006-08-02 CN disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
EP-0996617-B1 2,4-Dithi(oxo)-pyridin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists ASTRAZENECA AB (SE) 2002-01-09 EP disclosed
US-6107297-A 2,4-Dithi(oxo)-pyrimidin-5-yl compounds bearing a tricyclic substituent useful as P2 purinoceptor antagonists ASTRA PHARMACEUTICALS LIMITED (GB) 2000-08-22 US disclosed
EP-0996617-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 2000-05-03 EP disclosed
WO-1999002501-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 WO disclosed
US-5049558-A Quaternized nitrogen-heterocycle substituted IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-09-17 US disclosed
EP-0164944-B1 CEPHALOSPORIN DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-07-11 EP disclosed
EP-0164944-A1 Cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-18 EP disclosed
US-4254260-A 3-Substituted-7-substituted alkanamido-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-03-03 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 (4 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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 SMN1; SMN2 320/4885ALDH1A1 222/4885TSHR 3838/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 SMN1; SMN2 320/4885ALDH1A1 222/4885TSHR 3838/4885
US-20240150340-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 SMN1; SMN2 1955/4885ALDH1A1 2921/4885TSHR 3775/4885
US-20120238576-A1 Triazine Derivatives and their Therapeutical Applications SLC10A1, GLS, SLC10A2 SMN1; SMN2 1360/4885ALDH1A1 494/4885TSHR 357/4885

“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.