SCHEMBL14616208

SCHEMBL14616208

CC(=O)Cc1nc2cccnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 3/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.37
DAO P14920 1/20 0.36
MTNR1A P48039 1/20 0.36
RIPK1 Q13546 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL13167384 0.82 HTT (0.48) SMN1; SMN2MAPTKDM4EHTTRAB9A
SCHEMBL3380080 0.81 HSD17B10 (0.65) ALDH1A1SMN1; SMN2HSD17B10MAPTKDM4E
SCHEMBL5264712 0.78 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL4347806 0.78 RIPK1 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL4361327 0.78 DDAH1 (0.55) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL7002587 0.78 GAA (0.42) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL5879697 0.77 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EHTT
SCHEMBL9853629 0.76 KDM4C (0.48) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL6948812 0.76 PKM (0.58) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10337354 0.76 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2HSD17B10MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES CAI SHAOPEI (US) 2013-01-17 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 (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-20140303182-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 ALDH1A1 1479/4885SMN1; SMN2 246/4885HSD17B10 1495/4885
US-20130018058-A1 PHARMACEUTICALLY ACCEPTABLE SALTS OF QUINOLINONE COMPOUNDS HAVING IMPROVED PHARMACEUTICAL PROPERTIES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RAB14, SLC13A3 ALDH1A1 1479/4885SMN1; SMN2 246/4885HSD17B10 1495/4885

“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.