SCHEMBL4569383

SCHEMBL4569383

C[C@H](Nc1ccnc2ccnn12)c1cc2cccc(Cl)c2c(C(=O)N2C3CCC2COC3)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.34
SOS1 Q07889 1/20 0.34
CCNT1 O60563 4/20 0.34
CDK9 P50750 4/20 0.34
KCNN3 Q9UGI6 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34
PIK3CD O00329 8/20 0.34
PIK3CG P48736 5/20 0.34
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3R2 O00459 2/20 0.33
PRMT5 O14744 2/20 0.33
CYP3A4 P08684 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32

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
SCHEMBL4569389 0.85 HTR2C (0.38) LRRK2KCNN3PIK3CDPIK3R1CYP3A4
SCHEMBL4569426 0.83 NTRK1 (0.38) CCNT1CDK9CDK2CCNA1
SCHEMBL4569439 0.81 PIK3CD (0.38) LRRK2SOS1PIK3CDPIK3CGPIK3R1
SCHEMBL4569387 0.79 PIK3CD (0.48) LRRK2SOS1PIK3CDPIK3CGPIK3R1
SCHEMBL4569307 0.77 SOS1 (0.41) LRRK2SOS1PIK3CDPIK3CGPIK3R1
SCHEMBL4569456 0.76 SOS1 (0.43) SOS1PIK3CDPIK3CGPIK3R2
SCHEMBL4569378 0.76 PIK3CD (0.49) LRRK2SOS1PIK3CDPIK3CGPIK3R2
SCHEMBL16269985 0.76 PIK3CD (0.41) SOS1PIK3CDPIK3CGPIK3R2
SCHEMBL16269984 0.76 BTK (0.41) SOS1PIK3CDPIK3CG
SCHEMBL14649252 0.76 PIK3CD (0.55) KCNN3PIK3CDPIK3CGPIK3R1PIK3R2

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 LRRK2 549/4885SOS1 1223/4885CCNT1 1416/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB LRRK2 549/4885SOS1 1223/4885CCNT1 1416/4885

“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.