SCHEMBL14726545

SCHEMBL14726545

C[C@H](N)c1cc2cccc(Cl)c2c(=O)n1-c1c(F)cc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.40
PIK3CG P48736 14/20 0.40
PIK3R2 O00459 5/20 0.40
PIK3R1 P27986 7/20 0.38
ABCB11 O95342 1/20 0.38
TBXA2R P21731 1/20 0.38
HTR2A P28223 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE7A Q13946 1/20 0.35

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
SCHEMBL14726587 0.93 PIK3CD (0.43) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL14726573 0.88 PIK3CD (0.47) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL14726543 0.86 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL14649471 0.84 PIK3CD (0.46) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL22529256 0.84 PIK3CD (0.46) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL14726566 0.84 PIK3CD (0.53) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL14726556 0.84 PIK3CD (0.45) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL179610 0.83 PIK3CD (0.54) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL16583965 0.83 PIK3CD (0.54) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11
SCHEMBL14726577 0.82 PIK3CD (0.44) PIK3CDPIK3CGPIK3R2PIK3R1ABCB11

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 13 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
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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 PIK3CD 5/4885PIK3CG 14/4885PIK3R2 91/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3R2 91/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 PIK3CD 5/4885PIK3CG 14/4885PIK3R2 91/4885

“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.