SCHEMBL19082946

SCHEMBL19082946

Cc1nc(CCc2ccco2)c2cc[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 5/20 0.35
PKM P14618 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL17009463 0.80 POLB (0.44) ADORA2AADORA1ALDH1A1HPGDLMNA
SCHEMBL19082949 0.80 KDR (0.34) ADORA2AADORA1ALDH1A1HPGDLMNA
SCHEMBL19082961 0.77 SMN1; SMN2 (0.54) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL19082951 0.74 JAK2 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL19082955 0.73 PRKCI (0.33) ADORA2AADORA1MAPK1JAK2JAK3
SCHEMBL19082960 0.71 NUDT1 (0.36) ADORA2AADORA1MAPK1JAK2JAK3
SCHEMBL19082948 0.69 PRKCI (0.36) MAPK1JAK2JAK1TYK2JAK3
SCHEMBL19082953 0.68 NUDT1 (0.34) ADORA2AADORA1JAK2JAK1JAK3
SCHEMBL22346067 0.66 ADORA2A (0.47) ADORA2AADORA1LMNAHTTSMN1; SMN2
SCHEMBL8146532 0.66 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10MEN1KMT2A

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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 ADORA2A 2852/4885ADORA1 3132/4885ALDH1A1 2073/4885

“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.