SCHEMBL4569450

SCHEMBL4569450

Cc1nc([C@H](C)Nc2ncnc3[nH]cnc23)cc2cccc(C(=O)N3CCN(C)CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 3/20 0.41
GRM4 Q14833 1/20 0.39
MAP3K7 O43318 3/20 0.38
FLT3 P36888 1/20 0.38
TAB1 Q15750 1/20 0.38
NTRK1 P04629 1/20 0.36
ALK Q9UM73 1/20 0.36
BTK Q06187 3/20 0.36
AURKA O14965 2/20 0.36
RPS6KB1 P23443 2/20 0.36
HRH4 Q9H3N8 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAP4K4 O95819 1/20 0.35
AURKB Q96GD4 1/20 0.35
PAK1 Q13153 1/20 0.34

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
SCHEMBL4569446 0.91 SOS1 (0.41) SOS1GRM4NTRK1ALKBTK
SCHEMBL16419893 0.87 SOS1 (0.44) SOS1GRM4AURKARPS6KB1HRH4
SCHEMBL4569308 0.86 PIK3CD (0.41) SOS1MAP3K7ALKBTKHRH4
SCHEMBL4569448 0.83 SOS1 (0.43) SOS1AURKARPS6KB1AURKB
SCHEMBL4569325 0.79 PIK3CD (0.39) ALKBTK
SCHEMBL4569318 0.79 PIK3CD (0.41)
SCHEMBL4569310 0.79 PIK3CD (0.41)
SCHEMBL13064809 0.79 JAK2 (0.39) HRH4
SCHEMBL4569372 0.79 JAK2 (0.39) HRH4
SCHEMBL4569329 0.78 ERBB2 (0.40) ALKBTK

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 1223/4885GRM4 3415/4885MAP3K7 33/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SOS1 1223/4885GRM4 3415/4885MAP3K7 33/4885

“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.