SCHEMBL6771296

SCHEMBL6771296

COc1cc(C(C)C)cc(Br)c1Oc1nc(C)nc(N2CCSCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.39
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
CFD P00746 1/20 0.30

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
SCHEMBL6770540 0.90 MEN1 (0.40) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6770041 0.88 CRHR1 (0.46) CRHR1MEN1ALDH1A1KMT2A
SCHEMBL6775168 0.82 CRHR1 (0.35) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6770805 0.82 HTT (0.39) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8112895 0.80 CRHR1 (0.32) CRHR1KDM4EALDH1A1TDP1EDNRB
SCHEMBL6770815 0.72 KMT2A (0.39) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6780139 0.71 TSHR (0.40) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6770576 0.71 KMT2A (0.39) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6780509 0.71 MEN1 (0.39) CRHR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL6781376 0.71 MEN1 (0.39) CRHR1KDM4EMEN1ALDH1A1KMT2A

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-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
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

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 CRHR1 51/4885KDM4E 1989/4885MEN1 3005/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 CRHR1 53/4885KDM4E 2000/4885MEN1 2942/4885

“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.