Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569372

SCHEMBL4569372

SCHEMBL4569372

Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(N3CCN(C)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CD O00329 8/20 0.39
▸ HRH4 Q9H3N8 6/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL13064809 1.00 JAK2 (0.39) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL4569364 0.91 JAK2 (0.40) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL3700010 0.90 PIK3CD (0.41) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL13064797 0.90 STK4 (0.43) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL3700003 0.90 PIK3CD (0.41) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL4569374 0.88 CNR2 (0.42) JAK2JAK3PIK3CDHRH4USP2
SCHEMBL4569395 0.86 LRRK2 (0.41) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL13064835 0.85 PIK3R1 (0.37) JAK2JAK3PIK3R1PIK3CAPIK3CD
SCHEMBL4569415 0.84 PIK3CD (0.42) PIK3CDHRH4KDM4EUSP2ALDH1A1
SCHEMBL14329329 0.83 BTK (0.43) PIK3R1PIK3CAPIK3CDLRRK2

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 8 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
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 JAK2 51/4885JAK3 171/4885PIK3R1 27/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB JAK2 51/4885JAK3 171/4885PIK3R1 27/4885

“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.