SCHEMBL6845938

SCHEMBL6845938

Cc1ccncc1-c1cc(Cl)c2c(ccn2-c2cnccc2C)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
ABL1 P00519 7/20 0.42
PDE2A O00408 1/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP17A1 P05093 3/20 0.35
CYP1A2 P05177 2/20 0.34
WDR5 P61964 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
SCHEMBL6660236 0.86 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2PDE2APDE10A
SCHEMBL6653791 0.79 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2CYP17A1CYP1A2
SCHEMBL6840679 0.78 CYP11B1 (0.52) CYP19A1CYP11B1CYP11B2ABL1
SCHEMBL6847482 0.78 CYP11B1 (0.62) CYP19A1CYP11B1CYP11B2ABL1
SCHEMBL6659366 0.72 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2ABL1PDE2A
SCHEMBL6653056 0.72 CYP11B1 (0.46) CYP19A1CYP11B1CYP11B2ABL1PDE2A
SCHEMBL6658554 0.71 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2PDE2APDE10A
SCHEMBL6656138 0.71 CYP19A1 (0.45) CYP19A1CYP11B1CYP11B2PDE2APDE10A
SCHEMBL26463427 0.69 CYP11B1 (0.46) CYP11B1CYP11B2ABL1CYP17A1CYP1A2
SCHEMBL29466450 0.69 CYP11B1 (0.45) CYP11B1CYP11B2ABL1PDE2APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-12-23 US disclosed
US-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CYP19A1 9/4885CYP11B1 30/4885CYP11B2 53/4885
US-20040259888-A1 Novel 4-aminofuropyrimidines and the use thereof DPYD, TPMT, TYMP CYP19A1 2602/4885CYP11B1 120/4885CYP11B2 83/4885

“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.