SCHEMBL6650323

SCHEMBL6650323

c1ccc(COc2csc(-c3cccnc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGDS O60760 1/20 0.53
AXL P30530 1/20 0.52
PBRM1 Q86U86 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
TLR7 Q9NYK1 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL6648637 0.79 CYP17A1 (0.43) CYP19A1
SCHEMBL27378968 0.77 CYP19A1 (0.67) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL6377339 0.76 CYP19A1 (0.61) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL369872 0.75 CYP19A1 (0.59) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL27556091 0.74 CYP19A1 (0.55) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL6719948 0.73 CYP2E1 (0.59) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL7495850 0.73 RAB9A (1.00) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL19051411 0.73 CYP19A1 (1.00) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL30128572 0.73 CYP19A1 (1.00) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL29153114 0.73 CYP11B1 (0.56) CYP19A1CYP3A4CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 CYP19A1 7/4885RAB9A 4449/4885NPC1 1535/4885

“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.