SCHEMBL4177989

SCHEMBL4177989

Nc1nc(N)c2nc(Cc3cc4cccc(Cl)c4nc3-c3ccccc3Cl)[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.44
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPK14 Q16539 1/20 0.34
EGFR P00533 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL2430725 0.78 PIK3CD (0.44) PIK3CDHSP90AA1HSP90AB1
SCHEMBL4178087 0.73 DPP4 (0.51) PIK3CDHSP90AA1HSP90AB1
SCHEMBL10251465 0.73 PIK3CD (0.50) PIK3CDMAPK14ADORA2AADORA1
SCHEMBL4177997 0.72 PIK3CD (0.67) PIK3CDHSP90AA1HSP90AB1ADORA2AADORA1
SCHEMBL1314085 0.71 PIK3CD (0.51) PIK3CDHSP90AA1HSP90AB1
SCHEMBL4185246 0.70 PIK3CD (0.50) PIK3CD
SCHEMBL2438488 0.69 PIK3CD (0.56) PIK3CD
SCHEMBL3923325 0.69 GAA (0.45)
SCHEMBL1313645 0.69 PIK3CD (0.50) PIK3CD
SCHEMBL1313288 0.69 KDM4E (0.44) PIK3CDHSP90AA1HSP90AB1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-2137186-B1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2016-01-27 EP disclosed
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2015-02-12 US disclosed
US-8901135-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-12-02 US disclosed
US-8586739-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-19 US disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 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 (6 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885HSP90AA1 1565/4885HSP90AB1 960/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885HSP90AA1 1565/4885HSP90AB1 960/4885
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885HSP90AA1 1565/4885HSP90AB1 960/4885
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885HSP90AA1 1565/4885HSP90AB1 960/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885HSP90AA1 1565/4885HSP90AB1 960/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885HSP90AA1 1565/4885HSP90AB1 960/4885

“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.