SCHEMBL19125096

SCHEMBL19125096

Fc1ccc(Cl)cc1CNc1nc(Cl)cn2c([C@@H]3CCCS3)nnc12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.49
▸ ADORA2A P29274 4/20 0.40
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.32
▸ MAPT P10636 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
SCHEMBL19124354 0.92 ADORA3 (0.48) ADORA3ADORA2AADORA1MAPT
SCHEMBL19125189 0.85 ADORA3 (0.67) ADORA3ADORA2AADORA1
SCHEMBL19126126 0.84 ADORA3 (0.48) ADORA3ADORA2AADORA1MAPT
SCHEMBL19125186 0.82 ADORA3 (0.47) ADORA3ADORA2AMAPT
SCHEMBL19124607 0.80 ADORA3 (0.75) ADORA3ADORA2AADORA1
SCHEMBL19124128 0.79 ADORA3 (0.45) ADORA3ADORA2AMAPT
SCHEMBL19124234 0.78 ADORA3 (0.49) ADORA3ADORA2AADORA1
SCHEMBL19124655 0.77 ADORA3 (0.66) ADORA3ADORA2A
SCHEMBL19125063 0.75 ADORA3 (0.66) ADORA3ADORA2A
SCHEMBL19124216 0.72 ADORA3 (0.56) ADORA3ADORA2A

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 2/4885ADORA2A 1/4885MEN1 3682/4885

“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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