SCHEMBL4847045

SCHEMBL4847045

CC(C)c1cc(C#N)c(N)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
USP2 O75604 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3304121 0.78 ADORA2A (0.46) GRM6KDM4EALDH1A1USP2LMNA
SCHEMBL474156 0.72
SCHEMBL14528264 0.72 TAAR1 (0.34) ALDH1A1HTTGAATAAR1
SCHEMBL5154280 0.72
SCHEMBL22789262 0.70 TAAR1 (0.33) GAATAAR1
SCHEMBL10532548 0.70 PNMT (0.32) GRM6KDM4EALDH1A1USP2HSD17B10
SCHEMBL3344813 0.70 GRIN2D (0.38) KDM4EALDH1A1USP2MEN1GAA
SCHEMBL4836303 0.69 KDM4E (0.34) GRM6KDM4EALDH1A1USP2HPGD
SCHEMBL10713768 0.69
SCHEMBL24552932 0.68 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP claimed
EP-4725493-A2 POLYCYCLIC COMPOUNDS FOR INHIBITING RNA HELICASE DHX33 AND USE THEREOF Shenzhen Keye Life Technologies, Co., Ltd. (CN) 2026-04-15 EP disclosed
CN-112661754-B Polycyclic compound for inhibiting RNA helicase DHX33 成都开悦生命科技有限公司 2023-06-16 CN disclosed
US-20230146233-A1 A CLASS OF POLYCYCLIC COMPOUNDS INHIBITING RNA HELICASE DHX33 AND THE APPLICATION THEREOF SHENZHEN KEYE LIFE TECHNOLOGIES, CO., LTD (CN) 2023-05-11 US disclosed
US-20230146233-A1 A CLASS OF POLYCYCLIC COMPOUNDS INHIBITING RNA HELICASE DHX33 AND THE APPLICATION THEREOF SHENZHEN KEYE LIFE TECHNOLOGIES, CO., LTD (CN) 2023-05-11 US disclosed
EP-4089089-A1 POLYCYCLIC COMPOUNDS FOR INHIBITING RNA HELICASE DHX33 AND USE THEREOF Shenzhen Keye Life Technologies, Co., Ltd. (CN) 2022-11-16 EP disclosed
WO-2022127199-A1 POLYCYCLIC COMPOUNDS FOR INHIBITING RNA HELICASE DHX33 AND USE THEREOF 深圳开悦生命科技有限公司 2022-06-23 WO disclosed
WO-2022127199-A1 POLYCYCLIC COMPOUNDS FOR INHIBITING RNA HELICASE DHX33 AND USE THEREOF 深圳开悦生命科技有限公司 2022-06-23 WO disclosed
CN-112661754-A Polycyclic compound for inhibiting RNA helicase DHX33 成都开悦生命科技有限公司 2021-04-16 CN disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
US-4692461-A PLANT PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0224140-A1 Thienyl urea derivatives BAYER AG (DE) 1987-06-03 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 (3 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 GRM6 147/4885KDM4E 2492/4885ALDH1A1 2465/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 GRM6 233/4885KDM4E 3606/4885ALDH1A1 215/4885
US-20230146233-A1 A CLASS OF POLYCYCLIC COMPOUNDS INHIBITING RNA HELICASE DHX33 AND THE APPLICATION THEREOF DHX36, DDX21, DDX3X GRM6 2421/4885KDM4E 2120/4885ALDH1A1 1988/4885

“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.