SCHEMBL2176371

SCHEMBL2176371

COc1ccc(NC(=O)c2ccccc2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.68
NPC1 O15118 8/20 0.68
NAMPT P43490 1/20 0.67
KCNK9 Q9NPC2 2/20 0.60
KCNK3 O14649 1/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.59
NLRP3 Q96P20 1/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.57
TP53 P04637 1/20 0.57
ATM Q13315 1/20 0.57
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
KCNQ3 O43525 1/20 0.56
KCNQ2 O43526 1/20 0.56

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
SCHEMBL5492048 0.86 RAB9A (0.75) RAB9ANPC1NAMPTKCNK9KCNK3
SCHEMBL95125 0.86 NAMPT (0.61) RAB9ANPC1NAMPTALDH1A1SMN1; SMN2
SCHEMBL28922759 0.84 RAB9A (0.66) RAB9ANPC1NAMPTKCNK9KCNK3
SCHEMBL5724139 0.84 NAMPT (0.66) RAB9ANPC1NAMPTKCNK9KCNK3
SCHEMBL6809719 0.82 RAB9A (0.64) RAB9ANPC1KCNK9KCNK3ALDH1A1
SCHEMBL21357031 0.82 NPC1 (0.74) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5494349 0.82 MAPT (0.65) RAB9ANPC1KCNK9KCNK3ALDH1A1
SCHEMBL5931267 0.81 NAMPT (0.48) RAB9ANPC1NAMPTALDH1A1KDM4E
SCHEMBL7050973 0.81 KCNK9 (0.67) RAB9ANPC1KCNK9KCNK3ALDH1A1
SCHEMBL18516263 0.81 MET (0.55) RAB9ANPC1NAMPTALDH1A1KDM4E

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-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 1758/4885NAMPT 159/4885

“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.