SCHEMBL30850601

SCHEMBL30850601

c1ccc(CNc2ncc3nc[nH]c3n2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.48
▸ MAOA P21397 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ IGF1R P08069 3/20 0.46
▸ FGFR1 P11362 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ SUMO3 P55854 1/20 0.42
▸ SUMO2 P61956 1/20 0.42

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
SCHEMBL1019383 0.81 IP6K1 (0.47) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL6343838 0.77 SMN1; SMN2 (0.50) KDM4EHTTNPC1RAB9AHPGD
SCHEMBL4551624 0.77 FLT3 (0.44) NPC1RAB9AHPGDSMN1; SMN2KDR
SCHEMBL30939422 0.76 RAD52 (0.39) KDM4EHTTRAB9AHPGDSMN1; SMN2
SCHEMBL21303621 0.76 MAOA (0.54) RECQLMAOAMAOBHDAC3HDAC1
SCHEMBL15690 0.73 SMN1; SMN2 (0.49) KDM4EHTTNPC1RAB9ATP53
SCHEMBL4411497 0.73 SMN1; SMN2 (0.49) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL1244338 0.72 MAOA (0.70) MAOAMAOBHDAC3HDAC1HDAC2
SCHEMBL28147882 0.72 MAOA (0.51) MAOAMAOBHDAC3HDAC1HDAC2
SCHEMBL22191119 0.72 HDAC3 (0.60) MAOAMAOBHDAC3HDAC1HDAC2

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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2024-04-11 — — 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-20240116975-A1 ADENOSINE A3 RECEPTOR AGONISTS, PREPARATION METHODS AND USES THEREOF ADORA3, ADORA2A, ADORA2B RECQL 1078/4885MAOA 316/4885MAOB 360/4885

“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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