SCHEMBL9987645

SCHEMBL9987645

COc1ccc(CN2CCN(C(=O)CCCl)CC2)c(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.72
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.60
HTT P42858 1/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.56
CHRM2 P08172 1/20 0.56
SLC6A4 P31645 1/20 0.56
OPRD1 P41143 1/20 0.56
OPRK1 P41145 1/20 0.56
APOBEC3A P31941 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL9154399 0.87 CYP2C19 (0.68) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL29639701 0.86 CYP2C19 (0.74) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL9154432 0.86 CYP2C19 (0.74) CYP2C19MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9426314 0.85 CYP2C19 (0.72) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL11406746 0.85 CYP2C19 (0.65) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL10728536 0.82 CYP2C19 (0.69) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL28298203 0.82 CHRM2 (0.79) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL9157806 0.82 CYP2C19 (0.62) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL17950886 0.81 CYP2C19 (0.58) CYP2C19MEN1KMT2AALDH1A1KDM4E
SCHEMBL9426135 0.81 CYP2C19 (0.67) CYP2C19MEN1KMT2AALDH1A1KDM4E

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-8383631-B2 1,6-disubstituted-3-amino-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-C]pyridin-7-one compounds and preparation thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-02-26 US disclosed
US-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-12-29 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-20110319619-A1 NOVEL 1,6-DISUBSTITUTED-3-AMINO-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE COMPOUNDS AND PREPARATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, THPO, PLEC CYP2C19 493/4885MEN1 620/4885KMT2A 2707/4885

“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.