SCHEMBL6780509

SCHEMBL6780509

COc1cc(C(C)(C)O)cc(Br)c1Oc1nc(C)nc(N2CCCCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
CRHR1 P34998 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 5/20 0.35
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL6781376 1.00 MEN1 (0.39) MEN1KMT2AATMHTTRECQL
SCHEMBL6775008 0.90 CRHR1 (0.47) MEN1KMT2ACRHR1ALDH1A1HPGD
SCHEMBL6775737 0.82 KMT2A (0.39) MEN1KMT2AATMHTTRECQL
SCHEMBL6780139 0.82 TSHR (0.40) MEN1KMT2AATMHTTRECQL
SCHEMBL6770576 0.82 KMT2A (0.39) MEN1KMT2AATMHTTRECQL
SCHEMBL6770540 0.81 MEN1 (0.40) MEN1KMT2AATMHTTRECQL
SCHEMBL6770815 0.80 KMT2A (0.39) MEN1KMT2AATMHTTRECQL
SCHEMBL6775364 0.79 ALOX15 (0.35) ALOX15
SCHEMBL8107782 0.78 MEN1 (0.46) MEN1KMT2AATMHTTRECQL
SCHEMBL6774956 0.73 CRHR1 (0.39) CRHR1ALOX15

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-09 US claimed
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US claimed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US claimed
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP claimed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP claimed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 WO claimed
US-6818648-B2 PSYCHOLOGICAL DISORDERS; ANXIOLYTIC AGENTS; ANTIDEPRESSANTS; EATING DISORDERS; ALCOHOLISM; DRUG ABUSE; ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-11-16 US disclosed
US-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-09 US disclosed
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof DUPONT PHARMACEUTICALS COMPANY 2002-04-04 US disclosed
US-6326368-B1 PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY 2001-12-04 US disclosed
EP-0920318-A4 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARM CO (US) 2000-03-15 EP disclosed
EP-0920318-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF Du Pont Pharmaceuticals Company (US) 1999-06-09 EP disclosed
WO-1997035580-A1 ARYLOXY- AND ARYLTHIOSUBSTITUTED PYRIMIDINES AND TRIAZINES AND DERIVATIVES THEREOF DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-02 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 (2 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-20030191125-A1 Aryloxy- and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 MEN1 3005/4885KMT2A 3678/4885ATM 77/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 MEN1 2942/4885KMT2A 3659/4885ATM 74/4885

“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.