SCHEMBL2812103

SCHEMBL2812103

COC[C@H](C)Nc1nc2c3c(nn(C)c3n1)CCN2Cc1ccc(OC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
CNR2 P34972 6/20 0.36
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
BCDIN3D Q7Z5W3 2/20 0.33
ALDH1A1 P00352 3/20 0.32
PSMD14 O00487 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
PDE1B Q01064 2/20 0.32
PDE1A P54750 1/20 0.32
PDE1C Q14123 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
IGF1R P08069 1/20 0.32
MAPK1 P28482 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32

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
SCHEMBL2812368 0.88 CNR2 (0.37) GAACNR2ALDH1A1SMN1; SMN2LMNA
SCHEMBL2816716 0.83 CCNE2 (0.37) GAACNR2HRH1HRH4BCDIN3D
SCHEMBL13131652 0.83 SHMT2 (0.48) GAAHRH1HRH4BCDIN3DCYP2C19
SCHEMBL2814487 0.82 BCDIN3D (0.40) GAAHRH1HRH4BCDIN3DALDH1A1
SCHEMBL2812793 0.81 HRH1 (0.47) HRH1HRH4BCDIN3D
SCHEMBL13131703 0.80 SHMT2 (0.45) GAACNR2
SCHEMBL2809426 0.79 HRH1 (0.39) HRH1HRH4BCDIN3DALDH1A1IGF1R
SCHEMBL2809950 0.79 BCDIN3D (0.38) GAAHRH1HRH4BCDIN3DSMN1; SMN2
SCHEMBL2811738 0.78 TLR9 (0.39) HRH1HRH4BCDIN3D
SCHEMBL2812070 0.78 HRH1 (0.39) GAAHRH1HRH4ALDH1A1IGF1R

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 7 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
WO-2010114905-A1 PERI-FUSED PYRAZOLO-PYRIMIDINE COMPOUNDS ARQULE, INC. (US) 2010-10-07 WO 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 GAA 1908/4885CNR2 1666/4885HRH1 2327/4885

“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.