SCHEMBL2809765

SCHEMBL2809765

COc1ccc(CN2CCC3NN(C)c4nc(N5CCN(Cc6ccc7c(c6)OCO7)CC5)nc2c43)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KDM4E B2RXH2 3/20 0.46
HTT P42858 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 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
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
STAT6 P42226 1/20 0.46
HIF1A Q16665 1/20 0.46
S1PR2 O95136 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
NR2F2 P24468 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL2813121 0.89 POLB (0.47) POLBKDM4EHTTALDH1A1HPGD
SCHEMBL2810563 0.85 ALDH1A1 (0.45) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL2809519 0.84 HTR6 (0.45) KDM4EHTTALDH1A1HPGDMAPT
SCHEMBL2810409 0.83 SRC (0.43) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL2809530 0.82 MAPT (0.44) KDM4EHTTALDH1A1HPGDMAPT
SCHEMBL2811683 0.82 PTGIR (0.40) KDM4EALDH1A1HPGDNPSR1HSD17B10
SCHEMBL2810429 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTSMN1; SMN2DRD2
SCHEMBL2812073 0.81 DNMT3A (0.43) HTTALDH1A1HPGDMAPTNPSR1
SCHEMBL2815921 0.80 TSHR (0.42) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL2809447 0.77 TSHR (0.37) KDM4ELMNAMEN1KMT2A

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 POLB 345/4885KDM4E 2749/4885HTT 2797/4885

“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.