SCHEMBL4569330

SCHEMBL4569330

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.40
PIK3R2 O00459 1/20 0.40
ERBB2 P04626 2/20 0.40
FKBP1A P62942 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38
ABCB11 O95342 1/20 0.38
TBXA2R P21731 1/20 0.38
PIK3R1 P27986 1/20 0.38
HTR2A P28223 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PDE3A Q14432 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4569332 0.93 PIK3CD (0.39) PIK3CDPIK3R2SMN1; SMN2ABCB11TBXA2R
SCHEMBL17913947 0.93 PIK3CD (0.39) PIK3CDPIK3R2SMN1; SMN2ABCB11TBXA2R
SCHEMBL4569329 0.92 ERBB2 (0.40) PIK3CDPIK3R2ERBB2ABCB11TBXA2R
SCHEMBL4569323 0.90 PIK3CD (0.41) PIK3CDPIK3R2ERBB2SMN1; SMN2EPHA2
SCHEMBL3702405 0.86 PIK3CD (0.42) PIK3CDPIK3R2ABCB11TBXA2RPIK3R1
SCHEMBL3702416 0.86 PIK3CD (0.42) PIK3CDPIK3R2ABCB11TBXA2RPIK3R1
SCHEMBL14329222 0.86 PIK3CD (0.46) PIK3CDPIK3R2ERBB2EPHA2KDR
SCHEMBL20961881 0.86 PIK3CD (0.46) PIK3CDPIK3R2ERBB2EPHA2KDR
SCHEMBL4569312 0.86 PIK3CD (0.41) PIK3CDPIK3R2ABCB11TBXA2RPIK3R1
SCHEMBL3701510 0.85 PIK3CD (0.40) PIK3CDPIK3R2ABCB11TBXA2RPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2015-01-29 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901133-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
WO-2012064973-A2 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 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 (2 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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885ERBB2 346/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885ERBB2 346/4885

“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.