SCHEMBL3345764

SCHEMBL3345764

Cc1csc2ncnc(N3CCC(C(N)=O)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 3/20 0.49
ADRB2 P07550 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
HTT P42858 1/20 0.49
RECQL P46063 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
CHRM4 P08173 5/20 0.49
AKT2 P31751 1/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
STAT3 P40763 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3340197 0.86 LRRK2 (0.53) ADRB2ADRB1ADRB3HTTMAPT
SCHEMBL3341397 0.86 MAPT (0.54) RAB9AADRB2ADRB1ADRB3HTT
SCHEMBL3342327 0.84 MAPT (0.70) RAB9AADRB2ADRB1ADRB3MAPT
SCHEMBL4433890 0.83 ADRB2 (0.51) LMNAADRB2ADRB1ADRB3HTT
SCHEMBL27978531 0.82 ADRB2 (0.58) RAB9ALMNAADRB2ADRB1ADRB3
SCHEMBL13641081 0.81 CHRM4 (0.73) LMNAHTTRECQLCHRM4MAPT
SCHEMBL16293426 0.78 ADRB2 (0.51) LMNAADRB2ADRB1ADRB3STAT3
SCHEMBL4438861 0.77 LIMK2 (0.69) AKT2
SCHEMBL6832454 0.76 ADRB2 (0.52) RAB9AADRB2ADRB1ADRB3MAPT
SCHEMBL27978807 0.76 ADRB2 (0.49) ADRB2ADRB1ADRB3MAPTMAPK1

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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 RAB9A 2578/4885NPC1 4008/4885LMNA 4824/4885

“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.