SCHEMBL3340223

SCHEMBL3340223

CCOC(=O)C1CCCN(c2ncnc3scc(C)c23)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 8/20 0.55
MAPK1 P28482 3/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 6/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 5/20 0.52
HSD17B10 Q99714 3/20 0.52
HPGD P15428 2/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
TP53 P04637 1/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL3342327 0.87 MAPT (0.70) ALDH1A1MAPK1TSHRMAPTRAB9A
SCHEMBL3340197 0.85 LRRK2 (0.53) ALDH1A1MAPK1MAPTKDM4EHSD17B10
SCHEMBL3404456 0.77 KMT2A (0.72) NPSR1ALDH1A1MAPK1TSHRMAPT
SCHEMBL3341397 0.76 MAPT (0.54) MAPK1MAPTRAB9AKDM4EHTT
SCHEMBL31065682 0.76 NPSR1 (0.69) NPSR1ALDH1A1MAPK1TSHRMAPT
SCHEMBL31065683 0.75 NPSR1 (0.68) NPSR1ALDH1A1MAPK1TSHRMAPT
SCHEMBL31065684 0.74 ALDH1A1 (0.61) NPSR1ALDH1A1MAPK1TSHRMAPT
SCHEMBL3345764 0.74 RAB9A (0.51) NPSR1ALDH1A1MAPK1MAPTRAB9A
SCHEMBL31065690 0.73 ALDH1A1 (0.64) NPSR1ALDH1A1MAPK1TSHRMAPT
SCHEMBL3955700 0.73 JAK3 (0.61) NPSR1ALDH1A1MAPK1TSHRMAPT

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 NPSR1 208/4885ALDH1A1 1332/4885MAPK1 3238/4885

“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.