SCHEMBL14726606

SCHEMBL14726606

COc1cccc(NC(=O)c2c(Cl)cccc2CC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NLRP3 Q96P20 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
GRM4 Q14833 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PTGER3 P43115 1/20 0.40

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
SCHEMBL14726514 0.91 ITGB1 (0.44) RAB9ASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL20061313 0.89 ITGB1 (0.43) RAB9AGAAMAPTITGB1ITGA4
SCHEMBL10353528 0.89 ITGB1 (0.43) RAB9AGAAMAPTITGB1ITGA4
SCHEMBL29440976 0.89 ITGB1 (0.43) RAB9AGAAMAPTITGB1ITGA4
SCHEMBL28993006 0.89 ITGB1 (0.43) RAB9AGAAMAPTITGB1ITGA4
SCHEMBL14726638 0.88 RAB9A (0.44) RAB9ASMN1; SMN2ALDH1A1NPC1KMT2A
SCHEMBL14726648 0.87 KAT6A (0.41) RAB9ASMN1; SMN2NPC1GAAKMT2A
SCHEMBL14726611 0.86 GRM4 (0.44) RAB9ALMNASMN1; SMN2ALDH1A1NPC1
SCHEMBL14726434 0.86 GAA (0.44) RAB9AGAAMAPTITGB1ITGA4
SCHEMBL14726516 0.86 ITGB1 (0.42) RAB9AGAAKMT2AMEN1KDM4E

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 RAB9A 726/4885LMNA 842/4885SMN1; SMN2 1326/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 RAB9A 726/4885LMNA 842/4885SMN1; SMN2 1326/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 RAB9A 726/4885LMNA 842/4885SMN1; SMN2 1326/4885

“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.