SCHEMBL2808067

SCHEMBL2808067

COc1ccc(CN2CCC3NN(C)c4nc(NCCc5c[nH]c6c(C)cccc56)nc2c43)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR18 Q14330 1/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
SSTR5 P35346 1/20 0.36
EIF2AK2 P19525 1/20 0.35
HAT1 O14929 2/20 0.34
EP300 Q09472 2/20 0.34
DRD2 P14416 3/20 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
DRD3 P35462 1/20 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
SCHEMBL2816696 0.91 SSTR5 (0.38) GPR18CCNE2CCNE1CDK2SSTR5
SCHEMBL2812893 0.89 GPR18 (0.49) GPR18CCNE2CCNE1CDK2EIF2AK2
SCHEMBL2814492 0.84 TSHR (0.37) CYP1A2CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL2812032 0.82 PDE5A (0.38) MEN1KMT2ABCHEACHE
SCHEMBL2812459 0.82 HRH3 (0.39) MEN1KMT2A
SCHEMBL2809955 0.81 MAPT (0.37) CYP3A4ALOX15MEN1ALDH1A1KMT2A
SCHEMBL2810912 0.81 ADORA3 (0.42) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL2809538 0.80 EHMT2 (0.41) SSTR5DRD2USP2CYP1A2CYP3A4
SCHEMBL2808062 0.80 CDK2 (0.40) GPR18CCNE2CCNE1CDK2SSTR5
SCHEMBL2812158 0.80 CDK2 (0.46) GPR18CCNE2CCNE1CDK2EIF2AK2

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 GPR18 3294/4885CCNE2 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.