SCHEMBL44739

SCHEMBL44739

Nc1nc(-c2ccccc2F)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 5/20 1.00
HSD17B10 Q99714 2/20 0.62
ALDH1A1 P00352 7/20 0.55
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX5 P09917 1/20 0.52
VCP P55072 1/20 0.51

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
SCHEMBL30122901 1.00 MPL (1.00) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL29654224 0.92 MPL (0.84) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL474677 0.85 MPL (0.74) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL3775075 0.81 MPL (0.68) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL2517425 0.80 MPL (0.67) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL4367505 0.80 HSD17B10 (0.67) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL8700796 0.79 MPL (0.66) MPLALDH1A1RAB9AMAPTNPC1
SCHEMBL28911453 0.79 MPL (0.65) MPLALDH1A1RAB9AMAPTNPC1
SCHEMBL1800719 0.78 MPL (0.65) MPLHSD17B10ALDH1A1RAB9AMAPT
SCHEMBL31006087 0.78 MPL (0.67) MPLHSD17B10ALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466229-A P-acylamino benzenesulfonyl compound and application thereof 上海中医药大学 2022-12-13 CN disclosed
CN-109293652-B Substituted thiazole derivative and application thereof 四川科伦博泰生物医药股份有限公司 2021-10-22 CN disclosed
CN-111116575-B 5-fluoro-2, 4-pyrimidinediamine compound and preparation and application thereof 浙江工业大学 2021-06-15 CN disclosed
CN-111116575-A 5-fluoro-2, 4-pyrimidinediamine compound and preparation and application thereof 浙江工业大学 2020-05-08 CN disclosed
CN-110845437-A Method for preparing 2-aminothiazole compound 浙江工业大学 2020-02-28 CN disclosed
CN-108863978-A A method of by ethylbenzene class compound synthesis thiazolamine cyclics 河南师范大学 2018-11-23 CN disclosed
CN-108822056-A A kind of synthetic method of Novel 2 Amino thiazole ring analog derivative 河南师范大学 2018-11-16 CN disclosed
CN-107556264-A A kind of synthetic method of novel thiazole ring analog derivative 河南师范大学 2018-01-09 CN disclosed
CN-107501204-A A kind of method that 1,3 substituted thiazole cyclics are synthesized by styrene compound 河南师范大学 2017-12-22 CN disclosed
CN-107207445-A Adenosine A3The conditioning agent of acceptor 帕罗生物制药有限公司 2017-09-26 CN disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US disclosed
CN-101659661-A 2-aryl-3-(tetrahydro-2H-pyran-4-yl)-N-aryl-heterocyclic-propionamide compound, medicinal composition thereof and application thereof SHANGHAI INST MATERIA MEDICA 2010-03-03 CN disclosed
WO-2008057862-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-ϰB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 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 (2 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA MPL 4448/4885HSD17B10 1359/4885ALDH1A1 4179/4885
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 MPL 4798/4885HSD17B10 89/4885ALDH1A1 95/4885

“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.