SCHEMBL19125186

SCHEMBL19125186

Fc1ccc(CCNc2nc(Cl)cn3c([C@@H]4CCCS4)nnc23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 17/20 0.47
▸ RXFP1 Q9HBX9 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADORA2A P29274 2/20 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
SCHEMBL19124128 0.90 ADORA3 (0.45) ADORA3RXFP1TP53MAPTSMN1; SMN2
SCHEMBL19124234 0.89 ADORA3 (0.49) ADORA3TP53ADORA2A
SCHEMBL19124375 0.84 ADORA3 (0.67) ADORA3ADORA2A
SCHEMBL19125096 0.82 ADORA3 (0.49) ADORA3MAPTADORA2A
SCHEMBL19124304 0.81 ADORA3 (0.73) ADORA3ADORA2A
SCHEMBL19126129 0.80 ADORA3 (0.45) ADORA3MAPTSMN1; SMN2ADORA2A
SCHEMBL19124327 0.80 ADORA3 (0.68) ADORA3ADORA2A
SCHEMBL19125427 0.80 ADORA3 (0.68) ADORA3ADORA2A
SCHEMBL19126126 0.79 ADORA3 (0.48) ADORA3MAPTADORA2A
SCHEMBL19124354 0.77 ADORA3 (0.48) ADORA3MAPTADORA2A

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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF HANDOK INC. (KR) 2017-07-20 — — 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-20170204101-A1 COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885RXFP1 286/4885TP53 4212/4885

“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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