SCHEMBL4569417

SCHEMBL4569417

Cc1cccc2cc([C@H](C)Nc3ncnc4cccnc34)nc(C(=O)N3CCOCC3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
PIK3R2 O00459 1/20 0.41
ERBB2 P04626 4/20 0.40
MKNK2 Q9HBH9 1/20 0.39
ADORA2A P29274 4/20 0.38
SOS1 Q07889 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
NR1I2 O75469 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL4569377 0.91 PIK3CD (0.49) PIK3CDPIK3R2ERBB2MKNK2ADORA2A
SCHEMBL4569479 0.88 PIK3CD (0.47) PIK3CDPIK3R2ERBB2MKNK2SOS1
SCHEMBL4569526 0.88 ADORA2A (0.41) PIK3CDPIK3R2MKNK2ADORA2ASOS1
SCHEMBL4569435 0.86 PIK3CG (0.39) PIK3CDPIK3R2ERBB2ADORA2ASOS1
SCHEMBL4569398 0.85 MEN1 (0.39) ERBB2MKNK2ADORA2ASOS1MEN1
SCHEMBL4569418 0.85 PIK3CD (0.40) PIK3CDPIK3R2ADORA2ASOS1ADORA2B
SCHEMBL4569478 0.83 PIK3CD (0.50) PIK3CDPIK3R2ADORA2ATP53MAPT
SCHEMBL4569485 0.82 PIK3CD (0.39) PIK3CDPIK3R2ERBB2ADORA2AHPGD
SCHEMBL4569471 0.82 PIK3CD (0.46) PIK3CDPIK3R2ERBB2ADORA2AADORA2B
SCHEMBL4569474 0.81 PIK3CD (0.48) PIK3CDPIK3R2ADORA2AGRM4ADORA2B

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.