SCHEMBL6081464

SCHEMBL6081464

CC[C@@H](Nc1cncc(Cl)n1)OC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.40
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
HRH1 P35367 3/20 0.35
CSF1R P07333 10/20 0.35
FYN P06241 3/20 0.34
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
SRC P12931 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FRK P42685 1/20 0.33
DDR1 Q08345 1/20 0.33
GRM4 Q14833 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
SCHEMBL4628001 0.81 FYN (0.46) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL15864803 0.79 CDK2 (0.42) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL15864503 0.75 FYN (0.58) CDK2CSF1RFYN
SCHEMBL5357512 0.75 CRHR1 (0.32)
SCHEMBL12411075 0.74 CDK2 (0.47) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL31080610 0.74 CSF1R (0.39) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL5325336 0.73 HCAR3 (0.44) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL18274603 0.73 CSF1R (0.43) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL5206051 0.72 CDK2 (0.50) CDK2DRD2HTR2AHRH1CSF1R
SCHEMBL20774859 0.69 CDK2 (0.35) CDK2HTR2A

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
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORPORATION (US) 2006-09-07 US disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 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 (2 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-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CDK2 1095/4885DRD2 176/4885HTR2A 22/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CDK2 1095/4885DRD2 176/4885HTR2A 22/4885

“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.