SCHEMBL178300

SCHEMBL178300

CCCN1CCS(=O)(=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 5/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.33
ADRA2B P18089 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL806010 0.88 GNAI3 (0.41) KMT2AMEN1NPC1ALDH1A1DRD2
SCHEMBL12550619 0.86 GNAO1 (0.48) KMT2AMEN1SIGMAR1CNR2
SCHEMBL12550640 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL12550615 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL12550613 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL12550641 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL12550618 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL12550617 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL12550616 0.84 GNAO1 (0.52) SIGMAR1
SCHEMBL22025526 0.82 KMT2A (0.42) KMT2AMEN1NPC1ALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141757-A1 LSD1 MODULATORS EXSCIENTIA AI LIMITED (GB) 2024-07-04 WO disclosed
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-26 US disclosed
WO-2023133089-A1 IONIZABLE LIPIDS FOR MULTIPLE ORGAN TARGETING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-13 WO disclosed
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
WO-2023114188-A1 IONIZABLE LIPIDS AND COMPOSITIONS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-22 WO disclosed
WO-2023107648-A2 SYNTHESIS OF ESTER, CARBONATE, AND CARBAMATE-DERIVED NOVEL BIODEGRADABLE IONIZABLE LIPIDS FROM METHYL RICINOLEATE OR METHYL 12-HYDROXYSTEARATE AND ITS APPLICATIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-06-15 WO disclosed
WO-2023018648-A1 PHENOL DERIVATIVES FOR USE IN THE MODULATION OF BRM GENENTECH, INC. (US) 2023-02-16 WO disclosed
US-11542262-B2 Phosphatidylinositol 3-kinase inhibitors NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2023-01-03 US disclosed
US-20220220113-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS NANJING ZHENGXIANG PHARMACEUTICALS CO., LTD. (CN) 2022-07-14 US disclosed
EP-3453707-B1 BENZAZEPINE DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2022-02-16 EP disclosed
US-20070299075-A1 e.g. 1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-4-(aminosulfonyl)aminobutan-2-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent BRISTOL-MYERS SQUIBB COMPANY 2007-12-27 US disclosed
US-7265113-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-04 US disclosed
US-7265113-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-04 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer ASTRAZENECA AB (SE) 2005-11-10 US disclosed
EP-1528925-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Astrazeneca AB (SE) 2005-05-11 EP disclosed
WO-2004004732-A1 QUINAZOLINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2004-01-15 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 (9 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-11542262-B2 Phosphatidylinositol 3-kinase inhibitors PI4KB, PI4KA, PIK3CD KMT2A 3265/4885MEN1 2593/4885NPC1 1535/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 KMT2A 3389/4885MEN1 4811/4885NPC1 4635/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KMT2A 3391/4885MEN1 3655/4885NPC1 1129/4885
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 KMT2A 2653/4885MEN1 4642/4885NPC1 171/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 KMT2A 3389/4885MEN1 4811/4885NPC1 4635/4885
US-20220220113-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PI4KB, PI4KA, PIK3CD KMT2A 3265/4885MEN1 2593/4885NPC1 1535/4885
US-20230339865-A1 QUINAZOLINE-DERIVED HCK INHIBITORS FOR USE IN THE TREATMENT OF MYD88 MUTATED DISEASES HCK, BTK, LYN KMT2A 1545/4885MEN1 3571/4885NPC1 1140/4885
US-20070299075-A1 e.g. 1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-4-(aminosulfonyl)aminobutan-2-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent FGFR1, FLT1, FGFR2 KMT2A 2002/4885MEN1 4313/4885NPC1 4562/4885
US-20050250797-A1 Quinzoline derivatives for use in the treatment of cancer TPD52L2, NQO2, CCNI KMT2A 706/4885MEN1 394/4885NPC1 1776/4885

“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.