SCHEMBL3663189

SCHEMBL3663189

Nc1ncccc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
CYP2A6 P11509 1/20 0.46
HSP90AA1 P07900 1/20 0.44
MAP4K4 O95819 1/20 0.44
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
METAP1 P53582 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
NOS1 P29475 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHEK2 O96017 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
CASP6 P55212 1/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
CDK1 P06493 1/20 0.39
CDK2 P24941 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
Bromide SCHEMBL16340075 0.98 PDPK1 (0.46) PDPK1CYP2A6HSP90AA1MAP4K4ADORA2A
SCHEMBL4903015 0.82 HSP90AA1 (0.51) PDPK1CYP2A6HSP90AA1MAP4K4ADORA2A
SCHEMBL5692672 0.79 PDPK1 (0.64) PDPK1CYP2A6HSP90AA1ADORA2AADORA1
SCHEMBL996777 0.78 PDPK1 (0.53) PDPK1CYP2A6HSP90AA1ADORA2AADORA1
SCHEMBL1951149 0.77 PDPK1 (0.61) PDPK1CYP2A6HSP90AA1ADORA2AADORA1
SCHEMBL12212666 0.77 HSP90AA1 (0.49) PDPK1CYP2A6HSP90AA1ADORA2AADORA1
SCHEMBL20894817 0.77 PDPK1 (0.47) PDPK1CYP2A6HSP90AA1ADORA2AADORA1
SCHEMBL31480635 0.77 LOXL2 (0.50) PDPK1CYP2A6HSP90AA1ADORA2AADORA1
SCHEMBL10062975 0.76 MAP4K4 (0.59) HSP90AA1MAP4K4NOS1TSHRMKNK1
SCHEMBL11159480 0.76 PDPK1 (0.46) PDPK1CYP2A6HSP90AA1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2024-06-06 US disclosed
EP-4303216-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Genfleet Therapeutics (Shanghai) Inc. (CN) 2024-01-10 EP disclosed
CN-116981661-A Condensed ring substituted six-membered heterocyclic compound, preparation method and application thereof 劲方医药科技(上海)有限公司 2023-10-31 CN disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
WO-2022184152-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2022-09-09 WO disclosed
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
EP-3448856-B1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2022-01-05 EP disclosed
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-22 US disclosed
US-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2021-07-01 US disclosed
CN-103391934-A Dipyridylamine Derivatives DAIICHI SANKYO CO LTD 2013-11-13 CN disclosed
WO-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2220042-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2010-08-25 EP disclosed
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
CN-101528731-A Novel aminopyridine derivatives having AuroraA selective inhibitory action BANYU PHARMA CO LTD (JP) 2009-09-09 CN disclosed
WO-2009063054-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2009-05-22 WO disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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 (5 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 PDPK1 317/4885CYP2A6 3212/4885HSP90AA1 584/4885
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 PDPK1 247/4885CYP2A6 4712/4885HSP90AA1 833/4885
US-20210221804-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB PDPK1 2419/4885CYP2A6 92/4885HSP90AA1 1500/4885
US-20240182465-A1 FUSED RING SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, HASPIN PDPK1 23/4885CYP2A6 667/4885HSP90AA1 1126/4885
US-20210198251-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB PDPK1 2419/4885CYP2A6 92/4885HSP90AA1 1500/4885

“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.