SCHEMBL2808403

SCHEMBL2808403

COc1ccc(CN2CCC3NNc4nc(NCCc5c[nH]c6ccccc56)nc2c43)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.47
CCNE2 O96020 1/20 0.47
CCNE1 P24864 1/20 0.47
GPR18 Q14330 1/20 0.47
HRH3 Q9Y5N1 3/20 0.44
DRD2 P14416 6/20 0.44
HTR1A P08908 6/20 0.44
HTR2A P28223 5/20 0.44
HTR7 P34969 5/20 0.44
HTR6 P50406 5/20 0.44
DRD3 P35462 1/20 0.44
EIF2AK2 P19525 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
IP6K1 Q92551 1/20 0.41

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
SCHEMBL2812187 0.91 HRH3 (0.46) GPR18HRH3DRD2HTR1AHTR2A
SCHEMBL2814362 0.91 IP6K1 (0.45) CDK2CCNE2CCNE1HTR2AMEN1
SCHEMBL2813047 0.90 MEN1 (0.46) CDK2CCNE2CCNE1HTR1AHTR2A
SCHEMBL2812893 0.87 GPR18 (0.49) CDK2CCNE2CCNE1GPR18HRH3
SCHEMBL2813941 0.86 ADORA3 (0.41) MEN1KMT2AMAPT
SCHEMBL2810273 0.86 ADORA3 (0.41) MEN1KMT2AMAPT
SCHEMBL2812158 0.86 CDK2 (0.46) CDK2CCNE2CCNE1GPR18HRH3
SCHEMBL2809367 0.82 CNR2 (0.40) HRH3DRD2HTR1AHTR2AHTR7
SCHEMBL537584 0.82 ACHE (0.45) MEN1KMT2AMAPT
SCHEMBL2812056 0.82 CXCR3 (0.37) HRH3DRD2HTR7DRD3MEN1

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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS DPYD, TYMP, TP53 CDK2 8/4885CCNE2 381/4885CCNE1 196/4885

“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.