SCHEMBL2808062

SCHEMBL2808062

COc1ccc(CN2CCc3nn(C)c4nc(NCCc5c[nH]c6c(C)cccc56)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
EIF2AK2 P19525 1/20 0.40
GPR18 Q14330 2/20 0.40
KDM4E B2RXH2 1/20 0.35
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
DRD2 P14416 4/20 0.34
DRD3 P35462 1/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34

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
SCHEMBL2816693 0.91 CCNE2 (0.40) CDK2CCNE2CCNE1EIF2AK2GPR18
SCHEMBL2812890 0.89 EIF2AK2 (0.51) CDK2CCNE2CCNE1EIF2AK2GPR18
SCHEMBL2814487 0.84 BCDIN3D (0.40) CDK2CCNE2CCNE1CYP1A2CYP3A4
SCHEMBL13145613 0.83 BCDIN3D (0.35) GPR18KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2812029 0.82 PDE5A (0.40) MEN1KMT2ABCDIN3D
SCHEMBL2812452 0.82 TP53 (0.41) DRD2MEN1KMT2ABCDIN3D
SCHEMBL2809950 0.81 BCDIN3D (0.38) CDK2CCNE2CCNE1CYP3A4ALOX15
SCHEMBL2812153 0.81 CCNE2 (0.49) CDK2CCNE2CCNE1EIF2AK2GPR18
SCHEMBL2810910 0.80 ADORA3 (0.44) KDM4ECYP1A2CYP3A4CYP2C19MEN1
SCHEMBL2808067 0.80 GPR18 (0.38) CDK2CCNE2CCNE1EIF2AK2GPR18

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 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.