SCHEMBL19686438

SCHEMBL19686438

COc1cc(NC2CCSCC2)nc(-c2nc(C)cs2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.33
ADORA1 P30542 2/20 0.33
PDGFRB P09619 3/20 0.33
PDGFRA P16234 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
EGFR P00533 1/20 0.31
INSR P06213 1/20 0.31
LCK P06239 1/20 0.31
JAK2 O60674 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
SCHEMBL21165950 0.91 PDGFRB (0.39) ADORA2AADORA1PDGFRBPDGFRATDP1
SCHEMBL21165930 0.91 PDGFRB (0.41) PDGFRBPDGFRATDP1MEN1LMNA
SCHEMBL21165967 0.89 LMNA (0.43) PDGFRBPDGFRATDP1MEN1LMNA
SCHEMBL21165976 0.87 PDGFRB (0.33) ADORA2AADORA1PDGFRBPDGFRATDP1
SCHEMBL21165924 0.87 FYN (0.37) ADORA2AADORA1ALDH1A1KDM4ENPC1
SCHEMBL21165941 0.87 ADORA2A (0.33) ADORA2AADORA1PDGFRBPDGFRATDP1
SCHEMBL21143995 0.86 IDH1 (0.36) ADORA2AADORA1PDGFRBPDGFRATDP1
SCHEMBL31127167 0.86 IDH1 (0.36) ADORA2AADORA1PDGFRBPDGFRATDP1
SCHEMBL19687360 0.86 IDH1 (0.36) ADORA2AADORA1PDGFRBPDGFRATDP1
SCHEMBL19686927 0.85 IDH1 (0.47) ADORA2AIDH1

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-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 US disclosed
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885PDGFRB 3314/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 ADORA2A 1711/4885ADORA1 1011/4885PDGFRB 3314/4885

“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.