SCHEMBL6419690

SCHEMBL6419690

[c]1ccc(-c2nc(Cn3ccnc3)cs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.43
CYP11B2 P19099 12/20 0.42
CYP19A1 P11511 5/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
TBXAS1 P24557 1/20 0.42
QPCT Q16769 1/20 0.42
CYP4Z1 Q86W10 1/20 0.42
QPCTL Q9NXS2 1/20 0.42
ATP4A P20648 4/20 0.42
ATP4B P51164 4/20 0.42
CYP17A1 P05093 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL5401785 0.84 CYP19A1 (0.49) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL10717524 0.84 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL5401821 0.81 KDM4E (0.56) CYP11B1CYP19A1ATP4AATP4B
SCHEMBL5400344 0.76 CYP19A1 (0.42) CYP19A1POLBATP4AATP4BDRD2
SCHEMBL160611 0.74 CYP11B1 (0.69) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL6412894 0.73 CYP11B1 (0.41) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL2105505 0.71 GFER (0.45) POLBMAPTDRD2DRD4DRD3
SCHEMBL533107 0.71 RAB9A (0.53) POLBMAPTDRD2DRD4DRD3
SCHEMBL446528 0.71 SMN1; SMN2 (0.57) DRD2DRD4DRD3
SCHEMBL533238 0.69 RAB9A (0.47) POLBMAPT

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-20050124670-A1 Novel arylazole derivatives, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-06-09 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-20050124670-A1 Novel arylazole derivatives, their manufacture and use as pharmaceutical agents CYP3A43, CYP3A5, CYP1A1 CYP11B1 17/4885CYP11B2 9/4885CYP19A1 96/4885

“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.