SCHEMBL6650148

SCHEMBL6650148

Cc1ccncc1-c1nc(-c2ccc(F)c(F)c2)c(I)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
CYP11B2 P19099 6/20 0.38
CYP11B1 P15538 5/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
RPS6KA3 P51812 1/20 0.37
ABL1 P00519 4/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP17A1 P05093 2/20 0.35
PDE10A Q9Y233 1/20 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
SCHEMBL6648528 0.84 MAPK13 (0.40) PTGS2CYP11B2CYP11B1RAB9AABL1
SCHEMBL6647985 0.76 RAB9A (0.64) PTGS2NPC1RAB9ACYP17A1
SCHEMBL3819167 0.73 MAPK13 (0.42) PTGS2CYP11B2CYP11B1RAB9AABL1
SCHEMBL3817004 0.73 RPS6KA3 (0.41) PTGS2CYP11B2CYP11B1NPC1RAB9A
SCHEMBL19702700 0.68 RPS6KA3 (0.49) PTGS2CYP11B2CYP11B1NPC1RAB9A
Hydrochloric Acid SCHEMBL19691723 0.67 RPS6KA3 (0.48) PTGS2CYP11B2CYP11B1NPC1RAB9A
SCHEMBL6715107 0.65 CYP11B2 (0.36) CYP11B2CYP11B1ABL1CYP17A1PDE10A
SCHEMBL30494467 0.65 RPS6KA3 (0.52) PTGS2CYP11B2CYP11B1RPS6KA3ABL1
SCHEMBL10273624 0.65 ABL1 (0.55) PTGS2CYP11B2CYP11B1RPS6KA3ABL1
SCHEMBL30494331 0.65 CYP11B2 (0.50) PTGS2CYP11B2CYP11B1SLC22A12RPS6KA3

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 5 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-1490361-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2004-12-29 EP 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-2003082866-A1 POLYCYCLIC COMPOUNDS AS POTENT ALPHA2-ADRENOCEPTOR ANTAGONISTS ORION CORPORATION (FI) 2003-10-09 WO 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 PTGS2 988/4885CYP11B2 45/4885CYP11B1 27/4885

“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.