SCHEMBL2809762

SCHEMBL2809762

COc1ccc(CN2CCc3nn(C)c4nc(N5CCN(Cc6ccc7c(c6)OCO7)CC5)nc2c34)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 5/20 0.46
HTT P42858 5/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD2 P14416 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL2813116 0.89 ALDH1A1 (0.47) POLBALDH1A1KDM4EHTTHPGD
SCHEMBL2809514 0.83 HTR6 (0.46) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL2810400 0.83 CFTR (0.46) ALDH1A1KDM4EHTTHPGDMEN1
SCHEMBL2810553 0.83 ALDH1A1 (0.46) POLBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2809527 0.82 MAPT (0.45) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL2811678 0.82 CCNE2 (0.39) ALDH1A1KDM4EHTTHPGDHSD17B10
SCHEMBL2810425 0.81 SMN1; SMN2 (0.44) ALDH1A1KDM4EHTTDRD2KCNH2
SCHEMBL2812071 0.80 SMN1; SMN2 (0.43) ALDH1A1KDM4EHTTHPGDHSD17B10
SCHEMBL2815919 0.80 TSHR (0.43) POLBALDH1A1KDM4EHTTMEN1
SCHEMBL13145459 0.80 NPC1 (0.39) ALDH1A1KDM4EHTTHPGDHSD17B10

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 POLB 345/4885ALDH1A1 924/4885KDM4E 2749/4885

“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.