SCHEMBL2175650

SCHEMBL2175650

CC(C)(C)N(C(=O)O)C1(c2ccc(Nc3nc(-c4cccc(N5CCOCC5)n4)ccc3[N+](=O)[O-])cc2)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
TDP1 Q9NUW8 4/20 0.35
CNR1 P21554 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ZAP70 P43403 1/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT6 P42226 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL14332373 0.86 MAPT (0.41) TDP1MAPTALDH1A1LMNAMAPK1
SCHEMBL14332400 0.84 PIM1 (0.42) TDP1MAPTALDH1A1MAPK1MEN1
SCHEMBL12420321 0.83 TDP1 (0.41) RAB9ANPC1TDP1CNR1ADORA2A
SCHEMBL14332515 0.83 ALDH1A1 (0.41) TDP1MAPTALDH1A1LMNAMAPK1
SCHEMBL15157752 0.83 RAB9A (0.41) RAB9ANPC1TDP1CNR1ADORA2A
SCHEMBL2175890 0.83 RAB9A (0.41) RAB9ANPC1TDP1CNR1ADORA2A
SCHEMBL17093395 0.83 GSK3B (0.37) RAB9ANPC1MAPTMAPK1GAA
SCHEMBL17093393 0.83 GSK3B (0.37) RAB9ANPC1MAPTMAPK1GAA
SCHEMBL14332549 0.80 HTT (0.41) MAPTALDH1A1LMNAMAPK1GAA
SCHEMBL2174279 0.78 MAPT (0.43) RAB9ANPC1TDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501770-B2 Substituted imidazopyridinyl-aminopyridine compounds ARQULE, INC. (US) 2013-08-06 US disclosed
US-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds ARQULE, INC. (US) 2011-07-14 US disclosed
WO-2011082270-A2 SUBSTITUTED IMIDAZOPYRIDINYL-AMINOPYRIDINE COMPOUNDS ARQULE. INC. (US) 2011-07-07 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-20110172203-A1 Substituted Imidazopyridinyl-Aminopyridine Compounds MKI67, CDK4, ABL1 RAB9A 2076/4885NPC1 1758/4885TDP1 1469/4885

“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.