Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569452

SCHEMBL4569452

SCHEMBL4569452

C[C@H](Nc1ncnc2[nH]cc(C(N)=O)c12)c1cc2cccc(Cl)c2c(C(=O)N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.45
▸ SOS1 Q07889 2/20 0.42
▸ PIK3CD O00329 2/20 0.40
▸ PIK3R2 O00459 2/20 0.40
▸ EGFR P00533 1/20 0.39
▸ STK4 Q13043 1/20 0.39
▸ STK3 Q13188 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL16269983 0.94 BTK (0.45) BTKSOS1PIK3CDPIK3R2EGFR
SCHEMBL16269982 0.92 CNR2 (0.46) BTKSOS1PIK3CDPIK3R2LRRK2
SCHEMBL4569453 0.92 BTK (0.42) BTKSOS1PIK3CDPIK3R2EGFR
SCHEMBL4569514 0.89 PIK3CD (0.43) BTKSOS1PIK3CDPIK3R2LRRK2
SCHEMBL4569451 0.89 BTK (0.40) BTKSOS1PIK3CDPIK3R2EGFR
SCHEMBL4569312 0.86 PIK3CD (0.41) BTKSOS1PIK3CDPIK3R2EGFR
SCHEMBL4569455 0.86 SOS1 (0.43) BTKSOS1PIK3CD
SCHEMBL5019564 0.84 BTK (0.39) BTKPIK3CDPIK3R2
SCHEMBL4569379 0.83 EGFR (0.44) SOS1PIK3CDPIK3R2EGFR
SCHEMBL4572210 0.82 LRRK2 (0.41) SOS1PIK3CDPIK3R2STK4STK3

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 BTK 81/4885SOS1 1223/4885PIK3CD 2/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB BTK 81/4885SOS1 1223/4885PIK3CD 2/4885

“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.