SCHEMBL4569455

SCHEMBL4569455

C[C@H](Nc1ncnc2[nH]cc(C(N)=O)c12)c1cc2cccc(Cl)c2c(C(=O)N2C3CCC2COC3)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.43
BTK Q06187 15/20 0.40
PIK3CG P48736 3/20 0.39
PIK3CD O00329 2/20 0.39

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
SCHEMBL16269984 0.95 BTK (0.41) SOS1BTKPIK3CGPIK3CD
SCHEMBL4569456 0.92 SOS1 (0.43) SOS1BTKPIK3CGPIK3CD
SCHEMBL16269985 0.92 PIK3CD (0.41) SOS1BTKPIK3CGPIK3CD
SCHEMBL4569515 0.91 PIK3CD (0.42) SOS1BTKPIK3CGPIK3CD
SCHEMBL4569454 0.89 SOS1 (0.39) SOS1BTKPIK3CGPIK3CD
SCHEMBL4569307 0.87 SOS1 (0.41) SOS1PIK3CGPIK3CD
SCHEMBL4569452 0.86 BTK (0.45) SOS1BTKPIK3CD
SCHEMBL5019564 0.85 BTK (0.39) BTKPIK3CD
SCHEMBL10281638 0.83 PIK3CD (0.39) SOS1BTKPIK3CGPIK3CD
SCHEMBL4569387 0.82 PIK3CD (0.48) SOS1PIK3CGPIK3CD

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 SOS1 1223/4885BTK 81/4885PIK3CG 7/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SOS1 1223/4885BTK 81/4885PIK3CG 7/4885

“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.