Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569338

SCHEMBL4569338

SCHEMBL4569338

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2c(F)cccc2c(CCN2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ PIK3R2 O00459 1/20 0.38
▸ EGFR P00533 7/20 0.37
▸ AURKA O14965 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ SOS1 Q07889 4/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL4569336 0.87 PIK3CD (0.41) PIK3CDPIK3R2EGFRKDM4EHTT
SCHEMBL4569334 0.86 KDM4E (0.41) PIK3CDPIK3R2EGFRKDM4ESMN1; SMN2
SCHEMBL4569352 0.85 EGFR (0.38) PIK3CDPIK3R2EGFRAURKARPS6KB1
SCHEMBL14329217 0.84 PIK3CD (0.40) PIK3CDPIK3R2EGFRKDM4ESMN1; SMN2
SCHEMBL4569397 0.84 PIK3CD (0.40) PIK3CDPIK3R2EGFRKDM4ESMN1; SMN2
SCHEMBL4569302 0.82 PIK3CD (0.47) PIK3CDPIK3R2EGFRLRRK2
SCHEMBL14329176 0.82 PIK3CD (0.47) PIK3CDPIK3R2EGFRLRRK2
SCHEMBL10282370 0.80 PIK3CD (0.39) PIK3CDPIK3R2EGFRAURKARPS6KB1
SCHEMBL3701674 0.79 PIK3CD (0.46) PIK3CDPIK3R2EGFRSRC
SCHEMBL3701676 0.79 PIK3CD (0.46) PIK3CDPIK3R2EGFRSRC

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

“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.