SCHEMBL9976281

SCHEMBL9976281

c1ccc(-c2cnc(N3CCN(c4ncccn4)CC3)c(-c3ccncc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.57
MAPK14 Q16539 3/20 0.57
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
SLC6A7 Q99884 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ACVR1 Q04771 1/20 0.44
KDR P35968 1/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
DRD3 P35462 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Tt-301 SCHEMBL529969 0.82 CSNK1D (0.60) CSNK1DMAPK14ALDH1A1TSHRMAPT
SCHEMBL1753099 0.82 CSNK1D (0.60) CSNK1DMAPK14ALDH1A1TSHRMAPT
Tt-301 SCHEMBL300506 0.81 CSNK1D (0.59) CSNK1DMAPK14ALDH1A1TSHRMAPT
Tt-301 SCHEMBL9998818 0.81 CSNK1D (0.59) CSNK1DMAPK14ALDH1A1TSHRMAPT
Tt-301 SCHEMBL529453 0.81 CSNK1D (0.59) CSNK1DMAPK14ALDH1A1TSHRMAPT
SCHEMBL12706599 0.79 CSNK1D (0.54) CSNK1DMAPK14ALDH1A1TSHRMAPT
SCHEMBL12706604 0.77 CSNK1D (0.69) CSNK1DMAPK14ALDH1A1TSHRMAPT
SCHEMBL320404 0.77 CYP1A2 (0.65) CSNK1DMAPK14ALDH1A1TSHRLMNA
SCHEMBL8908253 0.75 CSNK1D (0.66) CSNK1DMAPK14ALDH1A1TSHRMAPT
SCHEMBL720267 0.75 SLC6A7 (0.56) CSNK1DMAPK14ALDH1A1TSHRMAPT

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-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS U.S. GOVERNMENT (US) 2012-06-21 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-20120157410-A1 COMPOSITIONS AND TREATMENTS USING PYRIDAZINE COMPOUNDS AND CHOLINESTERASE INHIBITORS ACHE, BCHE, BACE1 CSNK1D 912/4885MAPK14 388/4885ALDH1A1 2113/4885

“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.