SCHEMBL6386914

SCHEMBL6386914

Cc1cccc2c1CCc1ccncc1/C2=N\O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.44
▸ CYP11B1 P15538 3/20 0.44
▸ CYP11B2 P19099 3/20 0.44
▸ PARP1 P09874 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP11 Q9NR21 1/20 0.36
▸ CYP17A1 P05093 5/20 0.35
▸ ADRA2A P08913 2/20 0.34
▸ ADRA1A P35348 2/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ ADRA1D P25100 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ MAPK10 P53779 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ TYMS P04818 1/20 0.32
▸ GABRA1 P14867 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
SCHEMBL6386918 1.00 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2PARP1PARP10
SCHEMBL6391832 0.84 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2ADRA2AADRA1A
SCHEMBL6391836 0.84 CYP11B1 (0.44) CYP19A1CYP11B1CYP11B2ADRA2AADRA1A
SCHEMBL6387837 0.79 CYP19A1 (0.47) CYP19A1CYP11B1CYP11B2PARP1PARP10
SCHEMBL6385964 0.72 KMT2A (0.44) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL6385968 0.72 KMT2A (0.44) CYP19A1CYP11B1CYP11B2CYP17A1MEN1
SCHEMBL18266929 0.70 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2PARP1PARP10
SCHEMBL18816496 0.68 BRAF (0.46) NPC1BRAFMAPK3MAPK1RAB9A
SCHEMBL18795055 0.68 BRAF (0.46) NPC1BRAFMAPK3MAPK1RAB9A
SCHEMBL354990 0.68 LMNA (0.49) CYP19A1CYP11B1CYP11B2PARP1PARP10

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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