SCHEMBL6715107

SCHEMBL6715107

Cc1ccncc1-c1nc(C2CCCCC2)c(I)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
ABL1 P00519 7/20 0.35
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIM1 P11309 1/20 0.33
PDE10A Q9Y233 2/20 0.32
NPY5R Q15761 1/20 0.32
CYP17A1 P05093 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL6650605 0.87 CYP11B2 (0.38) CYP11B2CYP11B1ABL1KITPDGFRA
SCHEMBL6645525 0.75 C1S (0.43) CYP11B2CYP11B1ABL1CYP1A2CYP17A1
SCHEMBL7259043 0.69 CYP1A2 (0.48) CYP11B2CYP11B1ABL1KITPDGFRA
SCHEMBL6648528 0.68 MAPK13 (0.40) CYP11B2CYP11B1ABL1CYP1A2CYP2E1
SCHEMBL21757521 0.66 OPRL1 (0.48) CYP11B2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21757505 0.66 OPRL1 (0.48) CYP11B2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6628333 0.66 JAK3 (0.39) CYP11B2CYP11B1ABL1CYP1A2CYP17A1
SCHEMBL6650148 0.65 PTGS2 (0.42) CYP11B2CYP11B1ABL1PDE10ACYP17A1
SCHEMBL2755231 0.64 NPY5R (0.37) CYP11B2CYP11B1CYP1A2CYP2E1CYP3A4
SCHEMBL21757517 0.64 OPRL1 (0.49) CYP11B2OPRL1

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 1 patent. 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

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 CYP11B2 45/4885CYP11B1 27/4885ABL1 1350/4885

“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.