SCHEMBL3508335

SCHEMBL3508335

Cn1cc(-c2cccc(Br)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
IRAK4 Q9NWZ3 3/20 0.47
MAPT P10636 4/20 0.47
MAPK1 P28482 1/20 0.47
IRAK1 P51617 1/20 0.46
EPHX2 P34913 1/20 0.45
CLK2 P49760 3/20 0.45
CLK1 P49759 2/20 0.45
DYRK1A Q13627 2/20 0.45
HIPK1 Q86Z02 2/20 0.45
HIPK2 Q9H2X6 2/20 0.45
HIPK3 Q9H422 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
DYRK2 Q92630 1/20 0.45
CHEK1 O14757 2/20 0.44
AXL P30530 2/20 0.42
FGFR3 P22607 2/20 0.42
KDR P35968 2/20 0.42
PIM3 Q86V86 1/20 0.42

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
SCHEMBL12269967 0.81 CCR1 (0.52) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL30625193 0.81 CCR1 (0.52) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL15863106 0.80 MAPT (0.51) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL30625166 0.79 IRAK4 (0.53) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL30519807 0.79 IRAK4 (0.50) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL25794156 0.79 ASIC3 (0.52) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL26529057 0.79 KDM5B (0.44) PIM1FGFR3PIM3PIM2FGFR1
SCHEMBL17806514 0.77 PIM1 (0.46) PIM1IRAK4MAPTMAPK1IRAK1
SCHEMBL13306684 0.77 IRAK4 (0.48) PIM1IRAK4MAPTMAPK1CLK2
SCHEMBL3511207 0.76 TGFBR1 (0.44) PIM1FGFR3KDRPIM3PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (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 (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-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 PIM1 4630/4885IRAK4 588/4885MAPT 1440/4885
US-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 PIM1 36/4885IRAK4 47/4885MAPT 4023/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 PIM1 4683/4885IRAK4 604/4885MAPT 1498/4885
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH PIM1 4749/4885IRAK4 3802/4885MAPT 1623/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH PIM1 4749/4885IRAK4 3802/4885MAPT 1623/4885

“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.