SCHEMBL3655769

SCHEMBL3655769

COc1cc(Nc2ncc(Oc3cccc(N4CCCC4)c3)cc2F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
PIK3CA P42336 2/20 0.39
GALR2 O43603 4/20 0.39
GALR1 P47211 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 5/20 0.38
BCL6 P41182 2/20 0.38
SYK P43405 1/20 0.38
NPC1 O15118 1/20 0.38
PABPC1 P11940 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL3649390 0.86 GALR2 (0.44) GALR2GALR1MAPTMAPK1TDP1
SCHEMBL8063481 0.81 APP (0.48) GRM4PIK3CAMAPTPOLBSYK
SCHEMBL3701979 0.80 L3MBTL1 (0.42) MAPTSMN1; SMN2BRD4NPC1L3MBTL1
SCHEMBL3652154 0.79 CCNK (0.47) GALR2GALR1BRD4BCL6
SCHEMBL8068266 0.78 MET (0.49) GALR2GALR1SMN1; SMN2BCL6NPC1
SCHEMBL3653847 0.78 INSR (0.44) BCL6MAP4K1
SCHEMBL3653401 0.74 GPBAR1 (0.39) MAPTPOLBNPC1RAB9AMAP4K1
SCHEMBL3701978 0.73 F10 (0.36) MAPTPOLBNPC1RAB9AMAP4K1
SCHEMBL3650213 0.73 F10 (0.41) MAPTNPC1RAB9A
SCHEMBL2598615 0.72 JAK2 (0.45) GALR2GALR1SMN1; SMN2SYKNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US claimed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
US-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-11-25 US disclosed
EP-2205317-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2010-07-14 EP disclosed
WO-2009044160-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2009-04-09 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-20100298325-A1 PYRIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HCRTR1, HCRTR2, RTN3 GRM4 715/4885PIK3CA 4683/4885GALR2 227/4885

“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.