Sugi Predict

Sugi Predict / Compounds / SCHEMBL4569453

SCHEMBL4569453

SCHEMBL4569453

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ SOS1 Q07889 3/20 0.42
▸ EGFR P00533 1/20 0.41
▸ PIK3CD O00329 4/20 0.40
▸ PIK3R2 O00459 2/20 0.40
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ 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
▸ PIK3CB P42338 3/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37

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
SCHEMBL16269982 0.92 CNR2 (0.46) BTKSOS1PIK3CDPIK3R2CNR1
SCHEMBL4569452 0.92 BTK (0.45) BTKSOS1EGFRPIK3CDPIK3R2
SCHEMBL16269983 0.92 BTK (0.45) BTKSOS1EGFRPIK3CDPIK3R2
SCHEMBL4569514 0.90 PIK3CD (0.43) BTKSOS1PIK3CDPIK3R2CNR1
SCHEMBL4569451 0.89 BTK (0.40) BTKSOS1EGFRPIK3CDPIK3R2
SCHEMBL4569312 0.87 PIK3CD (0.41) BTKSOS1EGFRPIK3CDPIK3R2
SCHEMBL4569456 0.85 SOS1 (0.43) BTKSOS1PIK3CDPIK3R2PIK3CB
SCHEMBL4569379 0.83 EGFR (0.44) SOS1EGFRPIK3CDPIK3R2
SCHEMBL4572210 0.82 LRRK2 (0.41) SOS1PIK3CDPIK3R2LRRK2PIK3CG
SCHEMBL4569377 0.82 PIK3CD (0.49) SOS1EGFRPIK3CDPIK3R2PIK3CG

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 1223/4885EGFR 1194/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB BTK 81/4885SOS1 1223/4885EGFR 1194/4885

“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.