SCHEMBL5034313

SCHEMBL5034313

CC(=O)c1nc(CBr)cs1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.36
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AOC3 Q16853 1/20 0.32
PLA2G4A P47712 1/20 0.32
KDM1A O60341 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
SCHEMBL16603280 0.84 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL1614004 0.84 ALDH1A1 (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL855209 0.82 KMT2A (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL855213 0.82 SMN1; SMN2 (0.57) ALDH1A1KMT2ASMN1; SMN2FPR3FPR2
SCHEMBL19948901 0.82 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL1706522 0.81 HSD17B10 (0.58) ALDH1A1KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL23026544 0.79 ALDH1A1 (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL19502765 0.79 ENPP2 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1GABRA5
SCHEMBL4721794 0.79 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL5037405 0.78 PKM (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 CN disclosed
US-RE49128-E1 Hydroxyl purine compounds and applications thereof Guangdong Raynovent Biotech Co., Ltd. (CN) 2022-07-12 US disclosed
EP-3205652-B1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG RAYNOVENT BIOTECH CO LTD (CN) 2022-03-09 EP disclosed
US-10098885-B2 Hydroxyl purine compounds and applications thereof GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-10-16 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
US-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-11-16 US disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
EP-3205652-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF Medshine Discovery Inc. (CN) 2017-08-16 EP disclosed
WO-2017071606-A1 MEDICAL USE OF HYDROXYL PURINE COMPOUND 南京明德新药研发股份有限公司 2017-05-04 WO disclosed
WO-2016054971-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF 南京明德新药研发股份有限公司 2016-04-14 WO disclosed
EP-1605946-B1 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2008-05-28 EP disclosed
US-7276502-B2 Thiazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-02 US disclosed
EP-1605946-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-12-21 EP disclosed
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 US disclosed
WO-2004087699-A2 THIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-10-14 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 (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-20170326149-A1 HYDROXYL PURINE COMPOUNDS AND APPLICATIONS THEREOF PNP, PDE2A, PDE7A ALDH1A1 265/4885KMT2A 3904/4885SMN1; SMN2 1807/4885
US-20050004150-A1 For therapy and prophylaxis of immunodeficiency disorders, inflammatory diseases, allergic diseases, autoimmune diseases, proliferative disorders, immunologically-mediated diseases, or respiratory disorders TSLP, JAK1, SERPINB1 ALDH1A1 2984/4885KMT2A 1583/4885SMN1; SMN2 4293/4885
US-10098885-B2 Hydroxyl purine compounds and applications thereof PNP, PDE2A, PDE7A ALDH1A1 265/4885KMT2A 3904/4885SMN1; SMN2 1807/4885

“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.