SCHEMBL14718798

SCHEMBL14718798

CCCC[Sn](CCCC)(CCCC)c1ccnc(NC)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HRH4 Q9H3N8 4/20 0.33
TLR8 Q9NR97 1/20 0.33
TYK2 P29597 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRKCA P17252 1/20 0.30
PRKCD Q05655 1/20 0.30
PRKD1 Q15139 1/20 0.30

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
SCHEMBL1722328 0.78 UHRF1 (0.41) KDM4EHPGD
SCHEMBL29851259 0.78 UHRF1 (0.41) KDM4EHPGD
SCHEMBL1159593 0.77 NOS2 (0.46) KDM4ETLR8
SCHEMBL8878787 0.77 RECQL (0.38)
SCHEMBL9304275 0.77 CYP1A2 (0.40) KDM4E
SCHEMBL4049203 0.77 LOXL2 (0.38)
SCHEMBL30991519 0.75 HCAR3 (0.38) KDM4EHPGDSMN1; SMN2
SCHEMBL1900893 0.75 HCAR3 (0.38) KDM4EHPGDSMN1; SMN2
SCHEMBL1935159 0.74 LOX (0.44)
SCHEMBL29691167 0.74 CHRNA7 (0.30)

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-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2017-05-18 US disclosed
US-9546180-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-9115141-B2 Substituted isoquinolinones and methods of treatment thereof INFINITY PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2014-09-25 US disclosed
US-8785470-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2751093-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Infinity Pharmaceuticals, Inc. (US) 2014-07-09 EP disclosed
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2014-04-10 US disclosed
WO-2013032591-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC. (US) 2013-03-07 WO disclosed
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLKINE, LLC (US) 2013-02-28 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 (4 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-20140288048-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KDM4E 3950/4885HPGD 1385/4885HRH4 1717/4885
US-20130053362-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KDM4E 3950/4885HPGD 1385/4885HRH4 1717/4885
US-20140100214-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KDM4E 3950/4885HPGD 1385/4885HRH4 1717/4885
US-20170137407-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF AKT3, PIK3CA, AKT1 KDM4E 3950/4885HPGD 1385/4885HRH4 1717/4885

“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.