SCHEMBL14726629

SCHEMBL14726629

C[C@H](NC(=O)OC(C)(C)C)C(=O)Cc1cccc(Cl)c1C(=O)Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
SGMS2 Q8NHU3 4/20 0.44
RECQL P46063 1/20 0.43
CYP11B2 P19099 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL29440976 0.89 ITGB1 (0.43) RAB9ANPSR1
SCHEMBL28993006 0.89 ITGB1 (0.43) RAB9ANPSR1
SCHEMBL10353528 0.89 ITGB1 (0.43) RAB9ANPSR1
SCHEMBL20061313 0.89 ITGB1 (0.43) RAB9ANPSR1
SCHEMBL14726516 0.86 ITGB1 (0.42) RAB9AKMT2ANPSR1CYP1A2MEN1
SCHEMBL14726541 0.85 ITGB1 (0.42) RAB9ALMNAALDH1A1KMT2ANPSR1
SCHEMBL14726434 0.84 GAA (0.44) RAB9ANPSR1
SCHEMBL14726606 0.84 RAB9A (0.44) NPC1RAB9ALMNAALDH1A1KMT2A
SCHEMBL14726514 0.83 ITGB1 (0.44) NPC1RAB9AALDH1A1KMT2ANPSR1
SCHEMBL21980552 0.83 TLR7 (0.39) RAB9ALMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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 (3 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 NAMPT 875/4885SGMS2 1460/4885RECQL 1455/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 NAMPT 875/4885SGMS2 1460/4885RECQL 1455/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 NAMPT 875/4885SGMS2 1460/4885RECQL 1455/4885

“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.