SCHEMBL2816693

SCHEMBL2816693

COc1ccc(CN2CCc3nn(Cc4ccccc4)c4nc(NCCc5c[nH]c6c(C)cccc56)nc2c34)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
GPR18 Q14330 2/20 0.38
EIF2AK2 P19525 1/20 0.37
HAT1 O14929 2/20 0.37
EP300 Q09472 2/20 0.37
PAK4 O96013 2/20 0.36
CLPP Q16740 1/20 0.35
EGFR P00533 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35

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) CCNE2CCNE1CDK2GPR18EIF2AK2
SCHEMBL2808062 0.91 CDK2 (0.40) CCNE2CCNE1CDK2GPR18EIF2AK2
SCHEMBL2814449 0.85 ADORA3 (0.42) CLPPALDH1A1
SCHEMBL2810351 0.83 OPRK1 (0.41) CLPPMEN1KMT2ABCHEACHE
SCHEMBL2811020 0.83 PDE5A (0.40) CLPPMEN1ALDH1A1KMT2ABCHE
SCHEMBL2812217 0.82 ADORA3 (0.44) CLPPMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL2812906 0.82 CLPP (0.40) CLPPMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL2809474 0.82 EIF2AK2 (0.37) GPR18EIF2AK2HTR1ADRD2HTR2A
SCHEMBL2808414 0.82 OPRK1 (0.42) CLPPMEN1ALDH1A1KMT2ABCHE
SCHEMBL2816708 0.82 ACP1 (0.41) CLPPEGFRMEN1USP2ALDH1A1

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 CCNE2 381/4885CCNE1 196/4885CDK2 8/4885

“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.