SCHEMBL3340197

SCHEMBL3340197

Cc1csc2ncnc(N3CCCC(C(N)=O)C3)c12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.53
PRKDC P78527 1/20 0.48
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
KHK P50053 1/20 0.44
MAPK1 P28482 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL3345764 0.86 RAB9A (0.51) HTTKDM4EALDH1A1MAPTMAPK1
SCHEMBL3340223 0.85 NPSR1 (0.56) POLBHTTKMT2AKDM4EALDH1A1
SCHEMBL3341397 0.75 MAPT (0.54) HTTKDM4EMAPTMAPK1ADRB2
SCHEMBL4433890 0.74 ADRB2 (0.51) POLBHTTKMT2AKDM4EHPGD
SCHEMBL27978531 0.74 ADRB2 (0.58) POLBHTTKMT2AALDH1A1MAPT
SCHEMBL3342327 0.73 MAPT (0.70) POLBKMT2AKDM4EALDH1A1HPGD
SCHEMBL14970183 0.73 KMT2A (0.73) LRRK2POLBHTTKMT2AALDH1A1
SCHEMBL14964955 0.72 POLB (0.49) POLBHTTKMT2AKHKADRB2
SCHEMBL1900199 0.72 MAPK1 (0.55) PRKDCPOLBHTTKMT2AMAPT
SCHEMBL3083019 0.71 MAPK1 (0.52) POLBHTTKMT2AALDH1A1MAPT

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 LRRK2 1761/4885PRKDC 2250/4885POLB 2075/4885

“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.