SCHEMBL2069010

SCHEMBL2069010

CCc1ncc(Br)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 1/20 0.43
PDPK1 O15530 1/20 0.35
DYRK1A Q13627 2/20 0.35
IDO1 P14902 2/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35
LTK P29376 1/20 0.35

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
SCHEMBL21317734 0.81 HTT (0.45) HTTKMT2ADYRK1AIDO1CHEK1
SCHEMBL27176898 0.79 HTT (0.43) HTTKMT2ADYRK1AIDO1CHEK1
SCHEMBL12514790 0.78 KMT2A (0.46) HTTKMT2APDPK1DYRK1AAURKA
SCHEMBL9673509 0.78 NOS3 (0.36) HTTKMT2AUHRF1NOS3NOS1
SCHEMBL15080876 0.77 S1PR1 (0.37) HTTKMT2ADYRK1AUHRF1NOS3
SCHEMBL17887300 0.77 NOS3 (0.45) UHRF1NOS3NOS1NOS2KDM4E
SCHEMBL17446894 0.76 HTT (0.37) HTTKMT2ADYRK1AIDO1CHEK1
SCHEMBL16693756 0.75 HTT (0.34) HTTKMT2APDPK1DYRK1AGBA1
SCHEMBL18179659 0.75 PLAU (0.42) HTTKMT2ADYRK1AGBA1KDM4E
SCHEMBL10222535 0.75 CRHR1 (0.38) HTTKMT2AIDO1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 EP disclosed
CN-105916503-B Heteroaryl compounds and uses thereof 米伦纽姆医药公司 2020-04-14 CN disclosed
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-10538533-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-01-21 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-20180118762-A1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802960-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
WO-2010139731-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
EP-2167092-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS ADAMS NICHOLAS D 2009-01-15 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 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 (4 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-20100179144-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 HTT 1803/4885KMT2A 3791/4885PDPK1 5/4885
US-20180118762-A1 HETEROARYLS AND USES THEREOF VPS35, VPS4B, VPS26B HTT 643/4885KMT2A 2970/4885PDPK1 3177/4885
US-10538533-B2 Heteroaryls and uses thereof VPS35, VPS4B, VPS26B HTT 643/4885KMT2A 2970/4885PDPK1 3177/4885
US-20090018131-A1 QUINAZOLINE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, PI4KA, AKT3 HTT 1803/4885KMT2A 3791/4885PDPK1 5/4885

“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.