SCHEMBL4569646

SCHEMBL4569646

OCc1ccc(Cn2cccn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
NOS3 P29474 1/20 0.58
NOS1 P29475 1/20 0.58
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
HTT P42858 1/20 0.51
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
VHL P40337 1/20 0.47
ELOC Q15369 1/20 0.47
ELOB Q15370 1/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL7627846 0.86 MAPT (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL22181781 0.84 CA12 (0.71) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL14987117 0.84 HTT (0.63) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL3397894 0.82 GAA (0.67) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL301503 0.82 GAA (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL17221602 0.82 MAPT (0.62) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL324202 0.82 MAPT (0.61) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL3316475 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL3521224 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3
SCHEMBL12321326 0.81 MAPT (0.60) MAPTGAAHDAC1HDAC6NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES (US) 2024-07-11 US disclosed
WO-2024059186-A1 N-((ISOQUINOLIN-6-YL)METHYL)-1H-PYRAZOLE-4-CARBOXAMID DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS FOR THE TREATMENT OF HEREDITARY ANGIOEDEMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-03-21 WO disclosed
EP-4308229-A1 INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 CN disclosed
WO-2022197763-A1 INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 WO disclosed
EP-3305778-B1 INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2022-01-19 EP disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed
CN-105452240-B Hete rocyclic derivatives 卡尔维斯塔制药有限公司 2018-06-26 CN disclosed
WO-2015171526-A2 TRICYCLIC PYRAZOLOPYRIDINE COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
WO-2015171526-A2 TRICYCLIC PYRAZOLOPYRIDINE COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-12 WO disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
US-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2015-11-05 US disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
WO-2015103317-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2015-07-09 WO disclosed
WO-2014188211-A1 HETEROCYCLIC DERIVATES KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-11-27 WO disclosed
WO-2014114186-A1 JNK INHIBITORS 山东亨利医药科技有限责任公司 (CN) 2014-07-31 WO disclosed
WO-2009095394-A1 DIAZEPANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-08-06 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 (2 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-20150315198-A1 PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS TPMT, DPYD, XDH MAPT 44/4885GAA 2361/4885HDAC1 2409/4885
US-20240226106-A1 INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 MAPT 3389/4885GAA 1946/4885HDAC1 1752/4885

“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.