SCHEMBL6094064

SCHEMBL6094064

COc1ccc(Cn2c(=O)[nH]c(=O)c3c2nc(C2CCCC2)n3Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 2/20 0.65
HTT P42858 2/20 0.65
MAPT P10636 2/20 0.65
GAA P10253 1/20 0.65
NPSR1 Q6W5P4 4/20 0.61
MEN1 O00255 6/20 0.59
ADORA3 P0DMS8 3/20 0.55
POLB P06746 2/20 0.54
MAPK1 P28482 2/20 0.54
BLM P54132 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
RAB9A P51151 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
TPH1 P17752 1/20 0.49
TPH2 Q8IWU9 1/20 0.49
TSHR P16473 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL8576721 0.93 KMT2A (0.64) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL8579681 0.92 KMT2A (0.62) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL8577929 0.86 KMT2A (0.70) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL8606081 0.86 KMT2A (0.66) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL9168640 0.85 KMT2A (0.74) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL8581812 0.84 KMT2A (0.67) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL27523019 0.81 KMT2A (0.63) KMT2AALDH1A1KDM4EHPGDHTT
SCHEMBL8581793 0.81 KMT2A (0.66) KMT2AALDH1A1HPGDHTTMAPT
SCHEMBL8576951 0.81 ADORA3 (0.61) KMT2ANPSR1ADORA3POLBMAPK1
SCHEMBL6095090 0.79 ALDH1A1 (0.70) KMT2AALDH1A1KDM4EHPGDHTT

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-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
EP-1251130-B1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2005-02-16 EP disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 US disclosed
EP-1251130-A1 FUSED PURINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-10-23 EP disclosed
CN-1043348-C Asymmetrically substituted xanthines BOEHRINGER INGELHEIM KG (DE) 1999-05-12 CN disclosed
US-5719279-A CHOLINOMIMETICS BOEHRINGER INGELHEIM KG (DE) 1998-02-17 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 KMT2A 2404/4885ALDH1A1 2392/4885KDM4E 2971/4885

“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.