SCHEMBL4572191

SCHEMBL4572191

Cc1ncnc2[nH]c(Cl)nc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
GSK3B P49841 3/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
GSK3A P49840 2/20 0.38
EGFR P00533 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL6016628 0.79 CHEK1 (0.37) NPC1RAB9A
SCHEMBL4572185 0.79 ADORA3 (0.38) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL28995610 0.78 MMP12 (0.36) CDK5CDK5R1
SCHEMBL842439 0.78 ADORA2A (0.40)
SCHEMBL4572188 0.76 EGFR (0.31) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL4569235 0.76 FFAR2 (0.33) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL3992299 0.73 GSK3B (0.32) CCNB2CDK1CCNB1GSK3BCDK5
SCHEMBL11922119 0.73 L3MBTL1 (0.35)
SCHEMBL13064911 0.73 HTT (0.38) EGFRNPC1RAB9A
SCHEMBL14347071 0.71 YTHDC1 (0.32)

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
EP-2427195-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE LLC (US) 2019-05-01 EP disclosed
US-9388183-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2016-07-12 US disclosed
US-9315505-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2016-04-19 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-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2014-10-02 US disclosed
US-8785454-B2 Heterocyclic compounds and uses thereof INTELLIKINE LLC (US) 2014-07-22 US disclosed
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INTELLIKINE, INC. 2012-12-27 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 (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-20150031672-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CCNB2 1288/4885CDK1 86/4885CCNB1 1275/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CCNB2 1288/4885CDK1 86/4885CCNB1 1275/4885
US-20140296207-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, AKT3, PIK3CD CCNB2 792/4885CDK1 64/4885CCNB1 644/4885
US-20120329776-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB CCNB2 1372/4885CDK1 144/4885CCNB1 1628/4885

“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.