SCHEMBL4255477

SCHEMBL4255477

Cc1cnc(N(C)C)nc1N[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.42
CDK7 P50613 1/20 0.42
IRAK4 Q9NWZ3 5/20 0.39
FLT3 P36888 4/20 0.38
KIT P10721 3/20 0.38
AURKA O14965 1/20 0.38
EGFR P00533 1/20 0.38
NTRK1 P04629 1/20 0.38
CDK1 P06493 1/20 0.38
IGF1R P08069 1/20 0.38
EPHA1 P21709 1/20 0.38
CDK2 P24941 1/20 0.38
BMX P51813 1/20 0.38
JAK3 P52333 1/20 0.38
CDK6 Q00534 1/20 0.38
PAK1 Q13153 1/20 0.38
ALK Q9UM73 1/20 0.38
BTK Q06187 1/20 0.37
CCNT1 O60563 1/20 0.37
AXL P30530 2/20 0.37

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
SCHEMBL4271162 1.00 CDK9 (0.42) CDK9CDK7IRAK4FLT3KIT
SCHEMBL4255469 0.82 PDGFRB (0.45) IRAK4BTKADRA2AHRH1HTR2B
SCHEMBL4255472 0.82 PDGFRB (0.45) IRAK4BTKADRA2AHRH1HTR2B
SCHEMBL6456780 0.75 MCHR1 (0.60) CDK9CDK7FLT3CCNT1MAPK8
SCHEMBL6455816 0.75 MCHR1 (0.60) CDK9CDK7FLT3CCNT1MAPK8
SCHEMBL4258019 0.75 BTK (0.48) BTKMERTKADRA2AHRH1HTR2B
SCHEMBL4258023 0.75 BTK (0.48) BTKMERTKADRA2AHRH1HTR2B
Hydrochloric Acid SCHEMBL6457088 0.74 MCHR1 (0.59) CDK9CDK7FLT3CCNT1MAPK8
Hydrochloric Acid SCHEMBL6457080 0.74 MCHR1 (0.59) CDK9CDK7FLT3CCNT1MAPK8
SCHEMBL4266526 0.73 MCHR1 (0.69) ADRA2AHRH1HTR2BMCHR1

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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 US claimed
EP-1730122-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-12-13 EP claimed
WO-2005095357-A2 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 WO claimed
US-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMECUTICAL CO., LTD. (JP) 2009-02-05 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 (1 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-20090036448-A1 PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF GPR119, HCRTR2, MCHR1 CDK9 641/4885CDK7 299/4885IRAK4 919/4885

“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.