SCHEMBL4569397

SCHEMBL4569397

Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(CCN3CCOCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
EGFR P00533 4/20 0.35
LRRK2 Q5S007 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL14329217 1.00 PIK3CD (0.40) PIK3CDPIK3R2PIK3R1PIK3CACYP1A2
SCHEMBL14329183 0.93 PIK3R1 (0.38) PIK3CDPIK3R2PIK3R1PIK3CACYP3A4
SCHEMBL14329176 0.92 PIK3CD (0.47) PIK3CDPIK3R2PIK3R1PIK3CACYP1A2
SCHEMBL4569302 0.92 PIK3CD (0.47) PIK3CDPIK3R2PIK3R1PIK3CACYP1A2
SCHEMBL13064835 0.92 PIK3R1 (0.37) PIK3CDPIK3R2PIK3R1PIK3CACYP3A4
SCHEMBL13064805 0.89 CYP3A4 (0.44) PIK3CDPIK3R2CYP1A2CYP3A4CYP2D6
SCHEMBL4569409 0.88 IRAK4 (0.41) PIK3CDPIK3R2MAPK1LRRK2SYK
SCHEMBL14329328 0.87 PIK3CA (0.38) PIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL4569416 0.86 ELANE (0.41) PIK3CDPIK3R2CYP1A2CYP3A4CYP2D6
SCHEMBL13064797 0.85 STK4 (0.43) PIK3CDPIK3R1PIK3CALRRK2

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 35/4885PIK3R1 27/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885PIK3R1 27/4885

“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.