SCHEMBL2980415

SCHEMBL2980415

O=C(Cc1ccnc(Cl)c1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
RECQL P46063 1/20 0.49
LOX P28300 1/20 0.45
LOXL3 P58215 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
NPC1 O15118 5/20 0.42
PTPN1 P18031 1/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL6641863 0.85 RAB9A (0.43) RAB9ARECQLNPC1L3MBTL1MAPT
SCHEMBL828092 0.84 RAB9A (0.53) RAB9ALOXL2NPC1PTPN1KMT2A
SCHEMBL14143255 0.82 RAB9A (0.50) RAB9ANPC1PTPN1KMT2AL3MBTL1
SCHEMBL4474830 0.82 RAB9A (0.50) RAB9ANPC1PTPN1KMT2AL3MBTL1
SCHEMBL3890809 0.82 RAB9A (0.50) RAB9ANPC1PTPN1KMT2AL3MBTL1
SCHEMBL2645324 0.77 LTA4H (0.58) RAB9ANPC1PTPN1KMT2AL3MBTL1
SCHEMBL23481145 0.77 NOTUM (0.39) RECQLLOXLOXL3LOXL2KMT2A
SCHEMBL8302443 0.76 RAB9A (0.54) RAB9ANPC1PTPN1KMT2AALDH1A1
SCHEMBL5214600 0.76 RAB9A (0.61) RAB9ANPC1PTPN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL5253545 0.76 LTA4H (0.56) RAB9ANPC1PTPN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536194-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2013-09-17 US disclosed
EP-1611131-B1 PYRAZOLOPYRIDINE DERIVATES PALAU PHARMA SA (ES) 2010-09-15 EP disclosed
US-20090286983-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
US-7582660-B2 2-thio-substituted imidazole derivatives and their use in pharmaceutics C-A-I-R BIOSCIENCES GMBH (DE) 2009-09-01 US disclosed
US-20090005377-A1 Pyrazolopyridine Derivates PALAU PHARMA, S.A. (ES) 2009-01-01 US disclosed
US-7468376-B2 Pyrazolopyridine derivates PALAU PHARMA, S.A. (ES) 2008-12-23 US disclosed
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics MERCKLE-GMBH (DE) 2006-10-19 US disclosed
US-20060167040-A1 Pyrazolopyridine derivates J. URIACH Y COMPANIA S.A. (ES) 2006-07-27 US disclosed
EP-1611131-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach y Compagnia S.A. (ES) 2006-01-04 EP disclosed
EP-1539741-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE GMBH (DE) 2005-06-15 EP disclosed
WO-2004076450-A1 PYRAZOLOPYRIDINE DERIVATES J. Uriach Y Compañia S.A. (ES) 2004-09-10 WO disclosed
WO-2004018458-A1 2-THIO-SUBSTITUTED IMIDAZOLE DERIVATIVES AND THEIR USE IN PHARMACEUTICS MERCKLE-GMBH (DE) 2004-03-04 WO disclosed
EP-0686156-B1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-07-17 EP disclosed
US-5670503-A PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR MEDIATED DISEASES SUCH AS INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0686156-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-12-13 EP disclosed
WO-1994019350-A1 PYRAZOLITRIAZINES WITH INTERLEUKIN-1 AND TUMOUR NECROSIS FACTOR INHIBITORY ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 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-20060167040-A1 Pyrazolopyridine derivates MAPK1, MAP4K2, MAP4K3 RAB9A 1459/4885RECQL 3526/4885LOX 2215/4885
US-20090286983-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 RAB9A 1378/4885RECQL 2992/4885LOX 3123/4885
US-20060235054-A1 2-Thio-substituted imidazole derivatives and their use in pharmaceutics IL2, TPMT, IFNG RAB9A 1682/4885RECQL 1569/4885LOX 2706/4885
US-20090005377-A1 Pyrazolopyridine Derivates MAPK1, MAPK4, MAP4K2 RAB9A 1378/4885RECQL 2992/4885LOX 3123/4885

“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.