SCHEMBL1607642

SCHEMBL1607642

Cc1nc2cc(-c3cc(-c4ccc(N(C)C)cc4)[nH]n3)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APP P05067 1/20 0.42
TNIK Q9UKE5 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
MELK Q14680 1/20 0.36
POLB P06746 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
SCHEMBL1608226 0.78 KDM1A (0.46) RAB9ANPC1MAPTAPPTNIK
SCHEMBL1608233 0.76 APP (0.44) RAB9ANPC1MAPTSMN1; SMN2APP
SCHEMBL1607491 0.74 HPGD (0.41) RAB9ANPC1MAPTKDM4EALDH1A1
SCHEMBL1608493 0.73 APP (0.46) RAB9ANPC1MAPTAPPTNIK
SCHEMBL1250263 0.73 APP (0.46) RAB9ANPC1MAPTAPPTNIK
SCHEMBL26094088 0.72 RAB9A (0.56) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL1249681 0.71 TNIK (0.55) RAB9ANPC1MAPTAPPTNIK
SCHEMBL12573247 0.71 APP (0.52) RAB9ANPC1MAPTAPPTNIK
SCHEMBL1251703 0.71 APP (0.52) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL1608248 0.70 APP (0.46) RAB9ANPC1MAPTAPPTNIK

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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US claimed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 US disclosed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 RAB9A 4026/4885NPC1 129/4885MAPT 7/4885

“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.