SCHEMBL6775265

SCHEMBL6775265

COc1cc(Cl)c(Oc2nc(C)nc(N3CCOCC3)n2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.51
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 3/20 0.45
PIK3CB P42338 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 4/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6780534 0.83 KMT2A (0.54) CRHR1MEN1KMT2AHTTNPSR1
SCHEMBL6775008 0.76 CRHR1 (0.47) CRHR1MEN1KMT2ANPSR1MAPT
SCHEMBL6770041 0.76 CRHR1 (0.46) CRHR1MEN1KMT2APIK3CBPOLB
SCHEMBL6774484 0.74 CRHR1 (0.45) CRHR1MEN1KMT2AHTTNPSR1
SCHEMBL6770527 0.74 CRHR1 (0.45) CRHR1MEN1KMT2ANPSR1MAPT
SCHEMBL13029832 0.74 MAPK1 (0.65) CRHR1MEN1KMT2AHTTNPSR1
SCHEMBL6885335 0.73 POLB (0.46) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL7680790 0.70 CRHR1 (0.88) CRHR1MEN1KMT2ANPSR1MAPT
SCHEMBL7011083 0.70 MAPT (0.50) MEN1KMT2AHTTNPSR1MAPT
SCHEMBL14146780 0.68 POLB (0.46) CRHR1MEN1KMT2AHTTNPSR1

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 10 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
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 CRHR1 51/4885MEN1 3005/4885KMT2A 3678/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 CRHR1 53/4885MEN1 2942/4885KMT2A 3659/4885

“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.