SCHEMBL4569425

SCHEMBL4569425

C[C@H](Nc1ccnn2ccnc12)c1cc2cccc(Cl)c2c(OC2CCN(S(C)(=O)=O)CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.38
PIK3CD O00329 12/20 0.36
PIK3R2 O00459 9/20 0.35
PIK3CG P48736 7/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3R1 P27986 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
CACNB4 O00305 1/20 0.32
CACNA1A O00555 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNG3 O60359 1/20 0.32
CACNA1F O60840 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNB3 P54284 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNG7 P62955 1/20 0.32

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
SCHEMBL14329133 0.89 EGFR (0.35) EGFRPIK3CDPIK3R2PIK3CGLMNA
SCHEMBL14329157 0.84 KRAS (0.40) EGFRPIK3CDPIK3R1CDK7CDK9
SCHEMBL4569424 0.82 EGFR (0.35) EGFRPIK3CDLMNARAB9APIK3R1
SCHEMBL13064820 0.80 IDO1 (0.34) PIK3CDPIK3CGRAB9APIK3R1PIK3CA
SCHEMBL3703627 0.78 CACNB4 (0.39) EGFRLMNARAB9ACACNB4CACNA1A
SCHEMBL4569423 0.78 PIK3CD (0.47) EGFRPIK3CDPIK3R2PIK3CG
SCHEMBL14329129 0.78 EGFR (0.46) EGFRPIK3CDPIK3CGPIK3R1PIK3CA
SCHEMBL14329170 0.77 EGFR (0.36) EGFRPIK3CDPIK3CGPIK3R1CDK7
SCHEMBL4569431 0.77 SYK (0.38) PIK3CDPIK3R2PIK3CGPIK3R1
SCHEMBL14329154 0.77 EGFR (0.40) EGFRPIK3CDPIK3R2PIK3CGPIK3R1

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 EGFR 1194/4885PIK3CD 2/4885PIK3R2 35/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EGFR 1194/4885PIK3CD 2/4885PIK3R2 35/4885

“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.