Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569334

SCHEMBL4569334

SCHEMBL4569334

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cc(F)ccc2c(CCN2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ EGFR P00533 3/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ PIK3CD O00329 7/20 0.35
▸ PIK3R2 O00459 1/20 0.35
▸ CCNT1 O60563 3/20 0.34
▸ CDK9 P50750 3/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ PIK3CG P48736 1/20 0.34
▸ MAP4K4 O95819 2/20 0.33
▸ TP53 P04637 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
SCHEMBL4569338 0.86 PIK3CD (0.38) KDM4ESMN1; SMN2HTTEGFRPIK3CD
SCHEMBL14329217 0.83 PIK3CD (0.40) KDM4ESMN1; SMN2EGFRPIK3CDPIK3R2
SCHEMBL4569397 0.83 PIK3CD (0.40) KDM4ESMN1; SMN2EGFRPIK3CDPIK3R2
SCHEMBL4569336 0.83 PIK3CD (0.41) KDM4EHTTEGFRPIK3CDPIK3R2
SCHEMBL5019524 0.83 CYP1A2 (0.39) KDM4ESMN1; SMN2HTTEGFRJAK2
SCHEMBL4569302 0.82 PIK3CD (0.47) EGFRPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL14329176 0.82 PIK3CD (0.47) EGFRPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL4569352 0.80 EGFR (0.38) KDM4ESMN1; SMN2HTTEGFRPIK3CD
SCHEMBL4569409 0.78 IRAK4 (0.41) PIK3CDPIK3R2PIK3CG
SCHEMBL10282370 0.76 PIK3CD (0.39) KDM4ESMN1; SMN2HTTEGFRPIK3CD

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 KDM4E 3893/4885SMN1; SMN2 1464/4885HTT 823/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KDM4E 3893/4885SMN1; SMN2 1464/4885HTT 823/4885

“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.