SCHEMBL5840941

SCHEMBL5840941

CCn1cnc2c(Nc3ccc(C(F)(F)F)cc3)nc(N[C@H]3CC[C@H](O)CC3)nc21

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 14/20 0.82
SRC P12931 1/20 0.59
PRKCA P17252 1/20 0.56
PDGFRA P16234 5/20 0.56
CCNE1 P24864 5/20 0.56
CDK2 P24941 5/20 0.56

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
SCHEMBL5840934 1.00 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL7203055 0.91 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5839316 0.91 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5839320 0.91 CDK1 (0.82) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840414 0.91 CDK1 (0.83) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840409 0.91 CDK1 (0.83) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840330 0.90 CDK1 (1.00) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840337 0.90 CDK1 (1.00) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840468 0.89 CDK1 (0.84) CDK1SRCPRKCAPDGFRACCNE1
SCHEMBL5840463 0.89 CDK1 (0.84) CDK1SRCPRKCAPDGFRACCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed
US-20240224960-A1 PROSTATE CANCER CELL LINES, GENE SIGNATURES AND USES THEREOF PESTELL RICHARD G (US) 2024-07-11 US disclosed
US-20240224960-A1 PROSTATE CANCER CELL LINES, GENE SIGNATURES AND USES THEREOF PESTELL RICHARD G (US) 2024-07-11 US disclosed
US-10952415-B2 Prostate cancer cell lines, gene signatures and uses thereof Pestell, Richard G. (US) 2021-03-23 US disclosed
US-20130040972-A1 USE OF c-Src INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA MANLEY PAUL W (CH) 2013-02-14 US disclosed
US-20130040972-A1 USE OF c-Src INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA MANLEY PAUL W (CH) 2013-02-14 US disclosed
US-20100152198-A1 USE OF C-SRC INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA NOVARTIS AG (CH) 2010-06-17 US disclosed
US-20100152198-A1 USE OF C-SRC INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA NOVARTIS AG (CH) 2010-06-17 US disclosed
WO-2007116025-A2 USE OF C-SRC INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA NOVARTIS AG (CH) 2007-10-18 WO disclosed
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP 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-10952415-B2 Prostate cancer cell lines, gene signatures and uses thereof MYC, MYCBP, CD44 CDK1 1213/4885SRC 9/4885PRKCA 2536/4885
US-20240224960-A1 PROSTATE CANCER CELL LINES, GENE SIGNATURES AND USES THEREOF MYC, MYCBP, CD44 CDK1 1394/4885SRC 11/4885PRKCA 2607/4885
US-20130040972-A1 USE OF c-Src INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA BTK, SRC, TEC CDK1 373/4885SRC 2/4885PRKCA 172/4885
US-20100152198-A1 USE OF C-SRC INHIBITORS IN COMBINATION WITH A PYRIMIDYLAMINOBENZAMIDE COMPOUND FOR THE TREATMENT OF LEUKEMIA BTK, SRC, TEC CDK1 373/4885SRC 2/4885PRKCA 172/4885

“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.