SCHEMBL3340455

SCHEMBL3340455

CC(c1ccccn1)c1ncccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 1/20 0.48
TSHR P16473 2/20 0.47
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
KCNA5 P22460 5/20 0.44
KCNH2 Q12809 4/20 0.44
CHRM2 P08172 6/20 0.43
CHRM1 P11229 6/20 0.43
CHRM4 P08173 5/20 0.43
CHRM5 P08912 5/20 0.43
CHRM3 P20309 5/20 0.43
HRH1 P35367 5/20 0.43
KDM4E B2RXH2 1/20 0.43
KCNE1 P15382 2/20 0.42
CYP2D6 P10635 4/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL25298623 0.89 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL725091 0.88 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
Ammonia Solution, Strong SCHEMBL7995788 0.86 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL17069296 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL17069299 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL3103040 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
Ammonia Solution, Strong SCHEMBL6267830 0.78 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL29801709 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL29801749 0.78 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL79529 0.78

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 SLC6A2 4716/4885SLC6A4 4244/4885SLC6A3 4041/4885

“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.