SCHEMBL4569412

SCHEMBL4569412

Cc1cccc2cc([C@H](C)Nc3ncnc4cccnc34)nc(OCCN3CCCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.40
PIK3R2 O00459 1/20 0.40
SRC P12931 10/20 0.37
KDR P35968 3/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 2/20 0.36
LCK P06239 2/20 0.36
YES1 P07947 2/20 0.36
EPHB4 P54760 2/20 0.36
JAK2 O60674 1/20 0.36
ZAP70 P43403 1/20 0.36
JAK3 P52333 1/20 0.36
TNK2 Q07912 1/20 0.36
ABL1 P00519 1/20 0.36
RAF1 P04049 1/20 0.36
FYN P06241 1/20 0.36
LYN P07948 1/20 0.36
CYP3A4 P08684 1/20 0.36
PDGFRB P09619 1/20 0.36
CYP2D6 P10635 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
SCHEMBL4569368 0.91 PIK3CD (0.48) PIK3CDPIK3R2SRCKDRMAP4K4
SCHEMBL4569401 0.86 PIK3CG (0.37) PIK3CDPIK3R2SRCKDRMAP4K4
SCHEMBL4569399 0.85 PIK3R1 (0.36) PIK3CDSRCKDRMAP4K4EGFR
SCHEMBL4569414 0.80 PIK3CD (0.39) PIK3CDPIK3R2EGFRKCNH2HRH3
SCHEMBL4569416 0.80 ELANE (0.41) PIK3CDPIK3R2SRCMAP4K4EGFR
SCHEMBL4569415 0.79 PIK3CD (0.42) PIK3CDPIK3R2CYP3A4CYP2D6HTR1A
SCHEMBL4569403 0.76 PIK3CD (0.40) PIK3CDPIK3R2SRCKDRMAP4K4
SCHEMBL4569382 0.76 PIK3CD (0.48) PIK3CDPIK3R2SRCKDREGFR
SCHEMBL15888076 0.76 PIK3CD (0.40) PIK3CDPIK3R2SRCKDRMAP4K4
SCHEMBL4569417 0.73 PIK3CD (0.41) PIK3CDPIK3R2KCNH2

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 35/4885SRC 241/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB PIK3CD 2/4885PIK3R2 35/4885SRC 241/4885

“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.