SCHEMBL25584928

SCHEMBL25584928

CCNCc1cn(-c2cncnc2)nn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.39
▸ RXRA P19793 7/20 0.37
▸ GRIN1 Q05586 7/20 0.37
▸ GRIN2B Q13224 7/20 0.37
▸ MAOA P21397 2/20 0.37
▸ NOTUM Q6P988 5/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL25920363 0.84 ALK (0.42) CACNA2D1RXRAGRIN1GRIN2BMAOA
SCHEMBL25584033 0.80 ADRB2 (0.38) RXRAGRIN1GRIN2BMAOANOTUM
SCHEMBL25585949 0.78 NOTUM (0.37) RXRAGRIN1GRIN2BMAOANOTUM
SCHEMBL25587990 0.73 MIF (0.38) RXRAGRIN1GRIN2BP2RX7MIF
SCHEMBL7974222 0.71 DDB1 (0.36) CACNA2D1GRIN1GRIN2BMAOA
SCHEMBL12964681 0.70 P2RX7 (0.58) RXRAGRIN1GRIN2BNOTUMP2RX7
SCHEMBL21322107 0.69 CYP19A1 (0.40) —
SCHEMBL21133575 0.67 CYP19A1 (0.44) —
SCHEMBL28337945 0.67 DPP4 (0.49) CACNA2D1RXRAGRIN1GRIN2BMAOA
SCHEMBL12964599 0.67 RXRA (0.54) RXRAGRIN1GRIN2BNOTUMP2RX7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 — — US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 — — 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM CACNA2D1 4808/4885RXRA 2277/4885GRIN1 4058/4885

“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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