SCHEMBL4583713

SCHEMBL4583713

NCc1nc2cc(F)ccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.65
UBE2T Q9NPD8 1/20 0.58
ASIC3 Q9UHC3 1/20 0.58
DYRK1A Q13627 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
HDAC6 Q9UBN7 3/20 0.44
ILK Q13418 1/20 0.43
GFER P55789 2/20 0.43
AXL P30530 1/20 0.43
AKR1B1 P15121 3/20 0.43
AKR1A1 P14550 1/20 0.43
AHR P35869 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2RL3 Q96RI0 1/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL30209148 1.00 LOXL2 (0.65) LOXL2UBE2TASIC3DYRK1ATRPV1
SCHEMBL1729400 0.86 GFER (0.61) LOXL2UBE2TASIC3DYRK1AILK
SCHEMBL20651365 0.84 NPC1 (0.46) LOXL2UBE2TASIC3DYRK1AHDAC6
SCHEMBL362555 0.82 DYRK1A (0.45) LOXL2DYRK1AHDAC6ILKGFER
SCHEMBL7223517 0.82 NPC1 (0.63) LOXL2DYRK1AHDAC6ILKGFER
SCHEMBL8461410 0.82 LOXL2 (0.47) LOXL2UBE2TASIC3DYRK1AHDAC6
SCHEMBL7219825 0.82 DYRK1A (0.45) LOXL2UBE2TASIC3DYRK1AHDAC6
Phosphine SCHEMBL9339078 0.81 LOXL2 (0.46) LOXL2UBE2TASIC3DYRK1AHDAC6
Hydrochloric Acid SCHEMBL9335118 0.81 AHR (0.44) LOXL2UBE2TASIC3DYRK1AHDAC6
SCHEMBL3250178 0.80 LOXL2 (0.67) LOXL2UBE2TASIC3TRPV1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US claimed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO claimed
WO-2023001061-A1 CDK7 SELECTIVE INHIBITORS AS ANTICANCER AGENTS JINGRUI BIOPHARMA CO., LTD. (CN) 2023-01-26 WO disclosed
US-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-28 US disclosed
WO-2008100622-A2 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 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 (1 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-20080207683-A1 BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ LOXL2 1456/4885UBE2T 1851/4885ASIC3 2449/4885

“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.