Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569374

SCHEMBL4569374

SCHEMBL4569374

C[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C(F)(F)F)c2c(N2CCN(C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ HRH4 Q9H3N8 2/20 0.42
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SOS1 Q07889 7/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 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
SCHEMBL4569364 0.90 JAK2 (0.40) HRH4JAK2JAK3PIK3CDHTT
SCHEMBL13064809 0.88 JAK2 (0.39) HRH4TSHRUSP2ALDH1A1KMT2A
SCHEMBL4569372 0.88 JAK2 (0.39) HRH4TSHRUSP2ALDH1A1KMT2A
SCHEMBL3700003 0.87 PIK3CD (0.41) CNR2HRH4JAK2JAK3PIK3CD
SCHEMBL3700010 0.87 PIK3CD (0.41) CNR2HRH4JAK2JAK3PIK3CD
SCHEMBL4569395 0.83 LRRK2 (0.41) JAK2JAK3PIK3CDLRRK2
SCHEMBL4569373 0.82 PIK3CD (0.37) CNR2PIK3CDHSD17B10
SCHEMBL4569356 0.80 PIK3CD (0.41) PIK3CD
SCHEMBL14329187 0.80 PIK3CD (0.45) PIK3CDLRRK2
SCHEMBL20961866 0.80 PIK3CD (0.45) PIK3CDLRRK2

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 CNR2 1055/4885HRH4 1854/4885CYP1A2 2099/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CNR2 1055/4885HRH4 1854/4885CYP1A2 2099/4885

“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.