SCHEMBL4569370

SCHEMBL4569370

CC(C)N1CCC(Oc2nc([C@H](C)Nc3ccnc4ccnn34)cc3cccc(Cl)c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 1/20 0.35
SGK1 O00141 5/20 0.34
HRH3 Q9Y5N1 8/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
NMT1 P30419 1/20 0.31
SLC5A7 Q9GZV3 1/20 0.31

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
SCHEMBL4569424 0.89 EGFR (0.35) KCNN3SGK1PIK3CDPIK3R1CCNT1
SCHEMBL4569369 0.80 KCNN3 (0.36) KCNN3HRH3PIK3CDPIK3R1
SCHEMBL4569371 0.77 PIK3CD (0.47) PIK3CD
SCHEMBL4569361 0.76 KCNN3 (0.38) KCNN3PIK3CDPIK3R1CCNT1CDK9
SCHEMBL3698809 0.75 PIK3CD (0.38) SGK1PIK3CDPIK3R1
SCHEMBL3698817 0.75 PIK3CD (0.38) SGK1PIK3CDPIK3R1
SCHEMBL4569380 0.75 PIK3R2 (0.48) PIK3CD
SCHEMBL4569389 0.73 HTR2C (0.38) KCNN3PIK3CDPIK3R1
SCHEMBL4569342 0.73 KCNN3 (0.36) KCNN3PIK3CDPIK3R1CCNT1CDK9
SCHEMBL4569383 0.73 LRRK2 (0.34) KCNN3PIK3CDPIK3R1CCNT1CDK9

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 KCNN3 1944/4885SGK1 223/4885HRH3 1695/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB KCNN3 1944/4885SGK1 223/4885HRH3 1695/4885

“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.