SCHEMBL2816696

SCHEMBL2816696

COc1ccc(CN2CCC3NN(Cc4ccccc4)c4nc(NCCc5c[nH]c6c(C)cccc56)nc2c43)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.38
CCNE2 O96020 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
GPR18 Q14330 1/20 0.36
HAT1 O14929 2/20 0.36
EP300 Q09472 2/20 0.36
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
ALOX15 P16050 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL2808067 0.91 GPR18 (0.38) SSTR5CCNE2CCNE1CDK2GPR18
SCHEMBL2812158 0.90 CDK2 (0.46) CCNE2CCNE1CDK2GPR18BCHE
SCHEMBL2814452 0.86 SMN1; SMN2 (0.41) ACHEMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL2810354 0.84 MAPT (0.39) BCHEACHEMEN1KMT2AALDH1A1
SCHEMBL2811021 0.83 BCHE (0.40) BCHEACHEMEN1KMT2ATLR7
SCHEMBL2812219 0.83 MAPT (0.42) ACHEMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL2812911 0.83 MAPT (0.38) ACHEMEN1KMT2AALDH1A1TLR7
SCHEMBL2808419 0.82 TLR7 (0.38) ACHEMEN1KMT2AALDH1A1DRD4
SCHEMBL2816710 0.82 EHMT2 (0.43) SSTR5MEN1USP2CYP1A2CYP3A4
SCHEMBL2809480 0.82 SSTR5 (0.37) SSTR5GPR18BCHEACHEHTR1A

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 SSTR5 1758/4885CCNE2 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.