SCHEMBL22601387

SCHEMBL22601387

CNc1nc(N)c2[nH]c(C)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.39
NOS1 P29475 1/20 0.33
TERT O14746 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
TRIM58 Q8NG06 1/20 0.30
NUDT1 P36639 1/20 0.30
SLC2A1 P11166 1/20 0.30
FABP6 P51161 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2A6 P11509 1/20 0.30
KEAP1 Q14145 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24500012 0.79 DHFR (0.37) NPY5RNOS1SLC2A1
SCHEMBL3124920 0.74 MAPT (0.58) NPY5RNPC1RAB9AKMT2AL3MBTL1
SCHEMBL24500647 0.74 NPY5R (0.32) NPY5RNOS1
SCHEMBL24499985 0.73 NOS1 (0.31) NPY5RNOS1
SCHEMBL2773009 0.66 NOS1 (0.36) NOS1TERTTDP1RAB9AKMT2A
SCHEMBL5429247 0.64 NPY5R (0.37) NPY5RTERTADORA2AADORA1FABP6
SCHEMBL3125699 0.64 FABP6 (0.47) FABP6KMT2A
SCHEMBL29385342 0.63 PDPK1 (0.59)
SCHEMBL9119 0.63 PDPK1 (0.59)
SCHEMBL474962 0.63 NOS1 (0.37) NOS1TERTTDP1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD (CN) 2022-06-09 US disclosed
WO-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 WO disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 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 (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-20220177510-A1 DERIVATIVES OF GYLCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE GALK1, PHKA1, PGK1 NPY5R 3939/4885NOS1 2468/4885TERT 4569/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK NPY5R 1427/4885NOS1 3104/4885TERT 2193/4885

“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.