SCHEMBL6770041

SCHEMBL6770041

COc1cc(C(C)C)cc(Br)c1Oc1nc(C)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.46
MAPK1 P28482 3/20 0.39
PIK3CB P42338 4/20 0.38
POLB P06746 1/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MTOR P42345 1/20 0.37
ALOX15 P16050 1/20 0.37

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) CRHR1MAPK1POLBSMN1; SMN2KMT2A
SCHEMBL6771296 0.88 CRHR1 (0.39) CRHR1KMT2AMEN1ALDH1A1
SCHEMBL6770527 0.82 CRHR1 (0.45) CRHR1MAPK1POLBPIK3CASMN1; SMN2
SCHEMBL6774484 0.82 CRHR1 (0.45) CRHR1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL6775008 0.82 CRHR1 (0.47) CRHR1MAPK1POLBPIK3CASMN1; SMN2
SCHEMBL6775265 0.76 CRHR1 (0.51) CRHR1MAPK1PIK3CBPOLBPIK3CA
SCHEMBL6770815 0.72 KMT2A (0.39) CRHR1MAPK1POLBSMN1; SMN2KMT2A
SCHEMBL13029832 0.72 MAPK1 (0.65) CRHR1MAPK1PIK3CBPOLBPIK3CA
SCHEMBL6770576 0.71 KMT2A (0.39) CRHR1MAPK1POLBSMN1; SMN2KMT2A
SCHEMBL6781376 0.71 MEN1 (0.39) CRHR1MAPK1POLBSMN1; SMN2KMT2A

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-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 51/4885MAPK1 3858/4885PIK3CB 2650/4885
US-20020040026-A1 Aryloxy-and arylthiosubstituted pyrimidines and triazines and derivatives thereof PARL, HTR5A, PSEN2 CRHR1 53/4885MAPK1 3804/4885PIK3CB 2618/4885

“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.