SCHEMBL16801705

SCHEMBL16801705

CC(=O)N1CC=C(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
HTR1F P30939 1/20 0.48
FLT3 P36888 3/20 0.48
MAPT P10636 7/20 0.45
TP53 P04637 1/20 0.45
CHEK1 O14757 2/20 0.44
MAP4K4 O95819 2/20 0.44
PIM1 P11309 2/20 0.44
PRKACA P17612 2/20 0.44
CLK2 P49760 2/20 0.44
GSK3B P49841 2/20 0.44
CDK5 Q00535 2/20 0.44
PRKAA1 Q13131 2/20 0.44
ROCK1 Q13464 2/20 0.44
DYRK1A Q13627 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KA5 O75582 1/20 0.44
CHEK2 O96017 1/20 0.44
PRKCG P05129 1/20 0.44

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
SCHEMBL2262710 0.85 GABRP (0.56) PDE10ACDK9
SCHEMBL27788095 0.83 HTR1F (0.53) HTR1FLMNAPOLB
SCHEMBL3627711 0.82 SLC6A4 (0.64) LMNAPOLB
SCHEMBL18324729 0.81 CHEK1 (0.63) FLT3MAPTTP53CHEK1MAP4K4
SCHEMBL11864713 0.81 LMNA (0.66) MAPTTP53LMNAPOLB
SCHEMBL18324769 0.77 MAPT (0.47) MAPTTP53LMNAPOLB
SCHEMBL18324715 0.77 MAPT (0.47) MAPTTP53LMNAPOLB
SCHEMBL16801801 0.77 HTR2A (0.47) MAPTTP53GSK3BDYRK1ALMNA
SCHEMBL2634853 0.77 PDE10A (0.48) PDE10ACDK9
SCHEMBL16801553 0.76 SLC6A4 (0.67) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-9931347-B2 Pharmaceutical compound IOMET PHARMA LTD. (US) 2018-04-03 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
WO-2015082499-A2 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD (GB) 2015-06-11 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 (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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 PDE10A 3094/4885HTR1F 160/4885FLT3 508/4885

“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.