SCHEMBL360516

SCHEMBL360516

Cc1csc2cncnc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.39
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.35
PDPK1 O15530 1/20 0.34
MAP3K7 O43318 3/20 0.33
AURKA O14965 1/20 0.33
FLT3 P36888 1/20 0.33
SYK P43405 1/20 0.33
ACVR1 Q04771 1/20 0.32
CYP17A1 P05093 1/20 0.31
GRM5 P41594 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
SCHEMBL29936180 1.00 IRAK4 (0.39) IRAK4NPC1PKMMAPK1PDPK1
SCHEMBL30035092 0.80 NPC1 (0.35) NPC1PKMMAPK1PDPK1
SCHEMBL657295 0.77 IRAK4 (0.37) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL21371622 0.77 IRAK4 (0.37) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL30679394 0.77 IRAK4 (0.37) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL4302108 0.75 IRAK4 (0.39) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL24375572 0.75 IRAK4 (0.39) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL22430212 0.75 IRAK4 (0.36) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL10254362 0.75 IRAK4 (0.51) IRAK4MAP3K7AURKAFLT3SYK
SCHEMBL18238075 0.75 IRAK4 (0.37) IRAK4MAP3K7AURKAFLT3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS ASTRAZENECA AB (SE) 2011-08-18 US claimed
WO-2009013545-A2 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-01-29 WO claimed
EP-0452002-A2 Thienopyrimidine derivatives DOWELANCO (US) 1991-10-16 EP claimed
EP-3617213-B1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES HANMI PHARMACEUTICAL CO LTD (KR) 2025-02-19 EP disclosed
WO-2023018699-A1 SELECTIVE KRAS INHIBITORS ERASCA, INC. (US) 2023-02-16 WO disclosed
EP-3642199-B1 BENZOFURANS AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2022-04-27 EP disclosed
US-10899772-B2 IRAK4 modulators GENENTECH, INC. (US) 2021-01-26 US disclosed
EP-3642201-A1 ISOINDOLINONE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2020-04-29 EP disclosed
US-20200115383-A1 IRAK4 MODULATORS GENENTECH, INC. (US) 2020-04-16 US disclosed
EP-3617213-A1 THIENO[3,2-D]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY FOR PROTEIN KINASES Hanmi Pharm. Co., Ltd. (KR) 2020-03-04 EP disclosed
CN-110785418-A Isoindolinone derivatives as IRAK4 modulators 豪夫迈·罗氏有限公司 2020-02-11 CN disclosed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US disclosed
US-7285556-B2 Thienopyrimidine-based inhibitors of the src family BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEMS (US) 2007-10-23 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2005116009-A1 SUBSTITUTED 2-QUINOLYL-OXAZOLES USEFUL AS PDE4 INHIBITORS SCHERING CORPORATION (US) 2005-12-08 WO disclosed
EP-0452002-A2 Thienopyrimidine derivatives DOWELANCO (US) 1991-10-16 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 (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-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 IRAK4 3191/4885NPC1 869/4885PKM 2877/4885
US-20110201628-A1 HETEROCYCLIC JAK KINASE INHIBITORS JAK2, JAK1, JAK3 IRAK4 185/4885NPC1 3106/4885PKM 750/4885
US-20200115383-A1 IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 IRAK4 1/4885NPC1 1149/4885PKM 1370/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 IRAK4 2715/4885NPC1 1470/4885PKM 4672/4885
US-10899772-B2 IRAK4 modulators IRAK4, IRAK1, IRAK2 IRAK4 1/4885NPC1 1149/4885PKM 1370/4885

“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.