Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569379

SCHEMBL4569379

SCHEMBL4569379

C[C@H](Nc1ncnc2ccccc12)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.44
▸ SOS1 Q07889 2/20 0.43
▸ ERBB2 P04626 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ MOK Q9UQ07 4/20 0.41
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38

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
SCHEMBL4569377 0.89 PIK3CD (0.49) EGFRSOS1ERBB2KCNH2MOK
SCHEMBL4569479 0.88 PIK3CD (0.47) EGFRSOS1ERBB2KCNH2MOK
SCHEMBL4569312 0.84 PIK3CD (0.41) EGFRSOS1MOKPIK3CDPIK3R2
SCHEMBL4569453 0.83 BTK (0.42) EGFRSOS1PIK3CDPIK3R2
SCHEMBL4569385 0.83 PIK3R2 (0.48) EGFRSOS1MOKPIK3CDPIK3R2
SCHEMBL17913948 0.83 SOS1 (0.44) EGFRSOS1MOKPIK3CDPIK3R2
SCHEMBL16269982 0.83 CNR2 (0.46) SOS1PIK3CDPIK3R2HTR2C
SCHEMBL4569485 0.83 PIK3CD (0.39) ERBB2KCNH2MOKTSHRPIK3CD
SCHEMBL16269983 0.83 BTK (0.45) EGFRSOS1MOKPIK3CDPIK3R2
SCHEMBL4569452 0.83 BTK (0.45) EGFRSOS1PIK3CDPIK3R2

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 EGFR 1194/4885SOS1 1223/4885ERBB2 346/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB EGFR 1194/4885SOS1 1223/4885ERBB2 346/4885

“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.