Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569398

SCHEMBL4569398

SCHEMBL4569398

Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)nc(C(=O)N3CCOCC3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SOS1 Q07889 4/20 0.38
▸ BTK Q06187 4/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PLAUR Q03405 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.36
▸ CNR2 P34972 3/20 0.36

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
SCHEMBL4569312 0.91 PIK3CD (0.41) SOS1BTKPIK3R1PIK3CAMKNK2
SCHEMBL4569446 0.87 SOS1 (0.41) MEN1NPC1NR1I2USP2ALDH1A1
SCHEMBL4569434 0.86 PIK3CG (0.41) SOS1BTKPIK3CAPLK4JAK2
SCHEMBL4569417 0.85 PIK3CD (0.41) MEN1NPC1NR1I2USP2ALDH1A1
SCHEMBL4569402 0.85 SOS1 (0.40) SOS1BTKPIK3R1PIK3CA
SCHEMBL13064797 0.84 STK4 (0.43) PIK3R1PIK3CAJAK2
SCHEMBL4572210 0.84 LRRK2 (0.41) SOS1PIK3R1ROCK1
SCHEMBL4569310 0.84 PIK3CD (0.41) PIK3R1PIK3CAADORA2A
SCHEMBL4569318 0.84 PIK3CD (0.41) PIK3R1PIK3CAADORA2A
SCHEMBL4572208 0.82 PIK3CD (0.43) PIK3R1PIK3CAMKNK2

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 MEN1 1386/4885NPC1 1044/4885NR1I2 4245/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB MEN1 1386/4885NPC1 1044/4885NR1I2 4245/4885

“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.