SCHEMBL1018372

SCHEMBL1018372

Nc1cc(Cl)n2nccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.67
DYRK1A Q13627 1/20 0.40
KCNN3 Q9UGI6 11/20 0.39
KCNN1 Q92952 2/20 0.39
KCNN2 Q9H2S1 2/20 0.39
CHEK1 O14757 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
PIM1 P11309 2/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
RET P07949 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 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
SCHEMBL17026690 0.80 CDK2 (0.48) PDE10ADYRK1AKCNN3KCNN1KCNN2
SCHEMBL29869 0.80 PDE10A (1.00) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL659433 0.77 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2
SCHEMBL13022182 0.77 PDE10A (0.67) PDE10AKCNN3KCNN1KCNN2CHEK1
SCHEMBL16828091 0.77 PDE10A (0.43) PDE10ADYRK1AKCNN3KCNN1KCNN2
SCHEMBL30974 0.73 PDE10A (0.67) PDE10ADYRK1AKCNN3KCNN1KCNN2
SCHEMBL12978772 0.73 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2
SCHEMBL7434807 0.73 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2CDK2
SCHEMBL14679357 0.73 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2CDK2
SCHEMBL12363999 0.73 PDE10A (0.61) PDE10AKCNN3KCNN1KCNN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP claimed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO claimed
CN-108290843-B Biaryl kinase inhibitors 百时美施贵宝公司 2021-08-24 CN disclosed
EP-3356330-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-11-20 EP disclosed
EP-3356330-B1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-11-20 EP disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-10246469-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-02 US disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 US disclosed
US-20190040080-A1 BIARYL KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-02-07 US disclosed
EP-3356330-A1 BIARYL KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2018-08-08 EP disclosed
US-9718815-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-08-01 US disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2013012915-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-01-24 WO disclosed
WO-2011041293-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-07 WO disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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 (3 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-20190040080-A1 BIARYL KINASE INHIBITORS AAK1, CAMKK1, CAMKK2 PDE10A 2010/4885DYRK1A 382/4885KCNN3 1922/4885
US-10246469-B2 Biaryl kinase inhibitors AAK1, CAMKK1, CAMKK2 PDE10A 2010/4885DYRK1A 382/4885KCNN3 1922/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD PDE10A 3186/4885DYRK1A 1296/4885KCNN3 4636/4885

“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.