SCHEMBL2816716

SCHEMBL2816716

COc1ccc(CN2CCc3nn(C)c4nc(NCC(C)O)nc2c34)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
GBA1 P04062 1/20 0.36
HRH1 P35367 2/20 0.36
HRH4 Q9H3N8 2/20 0.36
GAA P10253 1/20 0.36
BCDIN3D Q7Z5W3 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL2809338 0.88 CLPP (0.39) CCNE2CCNE1CDK2GBA1HRH1
SCHEMBL2814487 0.86 BCDIN3D (0.40) CCNE2CCNE1CDK2HRH1HRH4
SCHEMBL2812793 0.85 HRH1 (0.47) HRH1HRH4BCDIN3DTLR9TLR7
SCHEMBL13131652 0.83 SHMT2 (0.48) CCNE2CCNE1CDK2HRH1HRH4
SCHEMBL2812103 0.83 GAA (0.36) HRH1HRH4GAABCDIN3DCNR2
SCHEMBL2812150 0.83 SMN1; SMN2 (0.39) CCNE2CCNE1CDK2GAABCDIN3D
SCHEMBL2809950 0.83 BCDIN3D (0.38) CCNE2CCNE1CDK2HRH1HRH4
SCHEMBL2809645 0.82 EGFR (0.46) HRH1HRH4GAATDP1MAPT
SCHEMBL2809534 0.82 MAPT (0.40) HRH1HRH4GAABCDIN3DMAPT
SCHEMBL2811738 0.82 TLR9 (0.39) HRH1HRH4BCDIN3DTDP1TLR9

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.