SCHEMBL6095090

SCHEMBL6095090

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
KDM4E B2RXH2 4/20 0.70
HPGD P15428 3/20 0.70
HTT P42858 2/20 0.70
MAPT P10636 2/20 0.70
GAA P10253 1/20 0.70
NPSR1 Q6W5P4 1/20 0.66
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
ADORA3 P0DMS8 5/20 0.59
PKM P14618 2/20 0.51
MCL1 Q07820 1/20 0.51
LMNA P02545 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
TPH1 P17752 2/20 0.49
TPH2 Q8IWU9 2/20 0.49
POLB P06746 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
SCHEMBL7759747 0.79 ADORA3 (0.65) ALDH1A1ADORA3POLB
SCHEMBL6094064 0.79 KMT2A (0.70) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL555712 0.78 BRD4 (0.71) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL7758401 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL9386107 0.74 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL8576721 0.74 KMT2A (0.64) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL8579681 0.72 KMT2A (0.62) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL22800918 0.72 HPGD (0.81) ALDH1A1KDM4EHPGDHTTMAPT
SCHEMBL8299853 0.72 HPGD (0.82) ALDH1A1HPGDHTTMAPTGAA
SCHEMBL8348004 0.70 P2RX4 (0.68) ALDH1A1KDM4EHPGDHTTMAPT

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-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
EP-1084123-A1 NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-03-21 EP disclosed
US-6187780-B1 ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-13 US disclosed
WO-1999054331-A1 NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO 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 ALDH1A1 2392/4885KDM4E 2971/4885HPGD 2465/4885

“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.