SCHEMBL13534468

SCHEMBL13534468

CCc1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
LOXL2 Q9Y4K0 3/20 0.43
LMNA P02545 1/20 0.43
SREBF2 Q12772 1/20 0.43
SCN9A Q15858 1/20 0.41
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
TGFBR1 P36897 1/20 0.40
PIM1 P11309 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
MAPKAPK2 P49137 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL15383833 0.91 SCN9A (0.52) NOS3NOS1NOS2LOXL2SCN9A
SCHEMBL18049349 0.82 LOXL2 (0.62) LOXL2SCN9AMEN1KMT2ANPC1
SCHEMBL2956020 0.82 LOXL2 (0.43) LOXL2SREBF2SCN9AMEN1KMT2A
SCHEMBL4492835 0.82 RECQL (0.47) LOXL2SCN9AMEN1KMT2ANPC1
SCHEMBL4117407 0.82 LOXL2 (0.43) LOXL2SREBF2SCN9AMEN1KMT2A
SCHEMBL27802351 0.82 NOS3 (0.47) NOS3NOS1NOS2LOXL2LMNA
SCHEMBL10271516 0.81 ASIC3 (0.53) NOS3NOS1NOS2LOXL2SREBF2
SCHEMBL13532993 0.81 SCN9A (0.41) LOXL2SREBF2SCN9AMAPK14MEN1
SCHEMBL17981871 0.81 LOXL2 (0.45) LOXL2SREBF2SCN9AMEN1KMT2A
SCHEMBL913143 0.80 NOS3 (0.61) NOS3NOS1NOS2LOXL2PIM1

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
CN-101951909-B Pyridopyrazinones derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH 2013-05-15 CN claimed
CN-101951909-A As the pyrido-pyrazine ketones derivant of insulin secretion stimulant, the method that obtains them and the purposes in the treatment diabetes thereof MERCK PATENT GMBH 2011-01-19 CN claimed
CN-101951909-B Pyridopyrazinones derivatives as insulin secretion stimulators, methods for obtaining them and use thereof for the treatment of diabetes MERCK PATENT GMBH 2013-05-15 CN disclosed
CN-101951909-A As the pyrido-pyrazine ketones derivant of insulin secretion stimulant, the method that obtains them and the purposes in the treatment diabetes thereof MERCK PATENT GMBH 2011-01-19 CN disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US 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-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A NOS3 400/4885NOS1 552/4885NOS2 399/4885

“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.