SCHEMBL25587990

SCHEMBL25587990

CCCCCCC(CC)NCc1cn(-c2cncnc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.38
▸ P2RX7 Q99572 1/20 0.34
▸ GBA1 P04062 6/20 0.33
▸ RXRA P19793 6/20 0.33
▸ GRIN1 Q05586 6/20 0.33
▸ GRIN2B Q13224 6/20 0.33
▸ DDX3X O00571 2/20 0.33
▸ SPHK1 Q9NYA1 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL25584033 0.77 ADRB2 (0.38) RXRAGRIN1GRIN2B
SCHEMBL25584928 0.73 CACNA2D1 (0.39) MIFP2RX7RXRAGRIN1GRIN2B
SCHEMBL25920363 0.72 ALK (0.42) P2RX7RXRAGRIN1GRIN2B
SCHEMBL22839372 0.68 — —
SCHEMBL25585949 0.67 NOTUM (0.37) P2RX7RXRAGRIN1GRIN2B
SCHEMBL4450758 0.62 TAS1R3 (0.45) —
SCHEMBL17795447 0.62 MIF (0.58) MIFP2RX7DDX3XSPHK1
SCHEMBL20794423 0.61 TLR2 (0.49) —
SCHEMBL18844905 0.61 TLR2 (0.49) —
SCHEMBL16479597 0.60 MIF (0.59) MIFP2RX7DDX3XSPHK1CYP1A2

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-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 — — 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 (2 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 MIF 3018/4885P2RX7 2953/4885GBA1 43/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM MIF 3018/4885P2RX7 2953/4885GBA1 43/4885

“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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