SCHEMBL11922280

SCHEMBL11922280

NCc1ccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)cc1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.78
EGFR P00533 13/20 0.78
ABL1 P00519 9/20 0.78
ABL2 P42684 9/20 0.78
CDK1 P06493 7/20 0.78
KDR P35968 6/20 0.78
CSK P41240 2/20 0.64
TP53 P04637 1/20 0.52

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
SCHEMBL7847551 0.90 SRC (0.91) SRCEGFRABL1ABL2CDK1
SCHEMBL31061695 0.88 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL5936176 0.88 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL20351594 0.87 SRC (0.86) SRCEGFRABL1ABL2CDK1
SCHEMBL7845787 0.86 SRC (0.84) SRCEGFRABL1ABL2CDK1
SCHEMBL7835361 0.85 SRC (1.00) SRCEGFRABL1ABL2CDK1
SCHEMBL7842356 0.85 SRC (0.82) SRCEGFRABL1ABL2CDK1
SCHEMBL7833880 0.84 SRC (0.75) SRCEGFRABL1ABL2CDK1
SCHEMBL7847946 0.84 SRC (0.80) SRCEGFRABL1ABL2CDK1
SCHEMBL7847078 0.83 SRC (0.82) SRCEGFRABL1ABL2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-07-24 US disclosed
US-9546165-B2 Heterocyclic compounds useful as PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-01-17 US disclosed
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2016-11-17 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 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 (3 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 SRC 1505/4885EGFR 2844/4885ABL1 1906/4885
US-10030016-B2 Heterocyclic compounds useful as PDK1 inhibitors PDK1, PDK2, PDK3 SRC 1505/4885EGFR 2844/4885ABL1 1906/4885
US-20160331756-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 SRC 1505/4885EGFR 2844/4885ABL1 1906/4885

“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.