SCHEMBL4569332

SCHEMBL4569332

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(Cl)c2c(OCC(=O)N2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.39
ABCB11 O95342 1/20 0.39
TBXA2R P21731 1/20 0.39
PIK3R1 P27986 1/20 0.39
HTR2A P28223 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PDE3A Q14432 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALK Q9UM73 1/20 0.37
POLB P06746 1/20 0.36
PIK3R2 O00459 7/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL17913947 0.99 PIK3CD (0.39) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL4569329 0.94 ERBB2 (0.40) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL4569330 0.93 PIK3CD (0.40) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL4569324 0.89 ALK (0.41) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL3702416 0.88 PIK3CD (0.42) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL3702405 0.88 PIK3CD (0.42) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL3701510 0.87 PIK3CD (0.40) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL3701506 0.87 PIK3CD (0.40) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL4572211 0.86 PIK3CD (0.40) PIK3CDABCB11TBXA2RPIK3R1HTR2A
SCHEMBL4569403 0.85 PIK3CD (0.40) PIK3CDABCB11TBXA2RPIK3R1HTR2A

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 2/4885ABCB11 3031/4885TBXA2R 838/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885ABCB11 3031/4885TBXA2R 838/4885

“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.