SCHEMBL6387839

SCHEMBL6387839

O/N=C1/c2cccnc2CCc2c(F)cccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ TYMS P04818 1/20 0.39
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ MAPK14 Q16539 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ADRA2A P08913 1/20 0.30
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL6387841 1.00 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2TYMSMEN1
SCHEMBL6385408 0.78 MAPK14 (0.47) CYP19A1CYP11B1CYP11B2TYMSMEN1
SCHEMBL6385244 0.76 MEN1 (0.42) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL6385247 0.76 MEN1 (0.42) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL6391836 0.75 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2TYMSMEN1
SCHEMBL6391832 0.75 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2TYMSMEN1
SCHEMBL6387798 0.75 MAPK14 (0.43) CYP19A1CYP11B1CYP11B2TYMSMEN1
SCHEMBL6387801 0.75 MAPK14 (0.43) CYP19A1CYP11B1CYP11B2TYMSMEN1
SCHEMBL4238327 0.71 TYMS (0.37) CYP19A1CYP11B1CYP11B2TYMS
SCHEMBL1869865 0.70 MAPK14 (0.43) CYP19A1CYP11B1CYP11B2TYMSMAPK14

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-20050245503-A1 Therapeutic heterocycles ASTRAZENECA AB (SE) 2005-11-03 — — 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-20050245503-A1 Therapeutic heterocycles OPRK1, RECQL, OPRM1 CYP19A1 763/4885CYP11B1 500/4885CYP11B2 333/4885

“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.

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