SCHEMBL2812890

SCHEMBL2812890

COc1ccc(CN2CCc3nn(C)c4nc(NCCc5c[nH]c6ccccc56)nc2c34)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.51
GPR18 Q14330 2/20 0.51
CCNE2 O96020 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
DRD2 P14416 7/20 0.46
DRD3 P35462 1/20 0.46
HTR1A P08908 6/20 0.44
HTR2A P28223 6/20 0.44
HTR7 P34969 6/20 0.44
HTR6 P50406 6/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 3/20 0.43
PAK4 O96013 2/20 0.42

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
SCHEMBL2812153 0.91 CCNE2 (0.49) EIF2AK2GPR18CCNE2CCNE1CDK2
SCHEMBL2808062 0.89 CDK2 (0.40) EIF2AK2GPR18CCNE2CCNE1CDK2
SCHEMBL2808392 0.87 CCNE2 (0.49) EIF2AK2GPR18CCNE2CCNE1CDK2
SCHEMBL2814487 0.85 BCDIN3D (0.40) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL2810910 0.83 ADORA3 (0.44) MEN1KMT2AMAPT
SCHEMBL13145613 0.83 BCDIN3D (0.35) GPR18KMT2AMAPT
SCHEMBL2809950 0.82 BCDIN3D (0.38) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL2812029 0.82 PDE5A (0.40) MEN1KMT2AMAPT
SCHEMBL2816693 0.81 CCNE2 (0.40) EIF2AK2GPR18CCNE2CCNE1CDK2
SCHEMBL2812452 0.81 TP53 (0.41) DRD2MEN1KMT2AMAPTHRH3

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 6 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-8343983-B2 Substituted pyrazolo-pyrimidine compounds ARQULE, INC. (US) 2013-01-01 US disclosed
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
US-20100249110-A1 SUBSTITUTED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-09-30 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 EIF2AK2 1147/4885GPR18 3294/4885CCNE2 381/4885

“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.