SCHEMBL4640974

SCHEMBL4640974

COC(C)Oc1nccnc1-c1cc(C2CCC[N]2)on1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 7/20 0.32
CYP1A2 P05177 1/20 0.31
HCK P08631 1/20 0.31
FGR P09769 1/20 0.31
RPS6KB1 P23443 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
RPS6KA1 Q15418 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
SCHEMBL3928074 0.83 HCRTR2 (0.33)
SCHEMBL4913991 0.78 RET (0.34) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL3924125 0.78 RET (0.32) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL3855154 0.76 RET (0.30) RET
SCHEMBL3858720 0.73 HCRTR1 (0.47)
SCHEMBL3851051 0.70 NPC1 (0.31)
SCHEMBL4912257 0.69 RET (0.36) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL4917757 0.69 RET (0.34) RETCYP1A2HCKFGRRPS6KB1
SCHEMBL3853970 0.67 NPC1 (0.40) CYP1A2
SCHEMBL4917615 0.67 RET (0.34) RETCYP1A2HCKFGRRPS6KB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869032-B1 PYRIMIDINE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2008-08-13 EP disclosed
US-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents ASTRAZENECA AB (SE) 2008-07-10 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-20080167297-A1 Pyrimidine Derivatives for Use as Anticancer Agents IGF1R, TYMP, IGFBP1 RET 657/4885CYP1A2 3439/4885HCK 3790/4885

“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.