SCHEMBL6384474

SCHEMBL6384474

Cc1cccc2c1CCc1ccncc1C2N=C=S

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ CHRNB2 P17787 2/20 0.34
▸ CHRNA4 P43681 2/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL6387593 0.88 KDM4C (0.34) CHRNB2CHRNA4CHRNA7CYP19A1CYP11B1
SCHEMBL6388120 0.83 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CYP19A1CYP11B2
SCHEMBL6388506 0.77 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4701299 0.69 RET (0.42) CYP11B2
SCHEMBL1998256 0.67 IDO1 (0.43) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL14309671 0.66 CHRNB2 (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6386914 0.64 CYP19A1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6386918 0.64 CYP19A1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6385756 0.63 CYP2D6 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6385324 0.63 CYP19A1 (0.40) CHRNB2CHRNA4CHRNA7CYP19A1CYP11B1

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 ADRA2A 98/4885ADRA2B 125/4885ADRA2C 55/4885

“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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