SCHEMBL1812653

SCHEMBL1812653

NC(=O)c1cnc(C(N)=O)c(Cc2ncc[nH]2)c1Cc1ncc[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.42
HTR1A P08908 1/20 0.42
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
JAK3 P52333 1/20 0.37
TBXAS1 P24557 2/20 0.36
ALOX15 P16050 1/20 0.35
PARP1 P09874 1/20 0.35
FDPS P14324 1/20 0.34
CD38 P28907 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
HTT P42858 1/20 0.32
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32

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
SCHEMBL1793714 0.83 TAAR1 (0.51) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL1811127 0.74 TAAR1 (0.44) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL14856666 0.73 TAAR1 (0.58) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL1810955 0.73 TAAR1 (0.46) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL1807964 0.73 TAAR1 (0.46) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL1794401 0.72 TAAR1 (0.47) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL14856734 0.69 TAAR1 (0.46) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL1810035 0.68 TAAR1 (0.39) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL7573780 0.67 TAAR1 (0.43) TAAR1HTR1ACSNK1A1TYRO3DYRK1B
SCHEMBL7019374 0.67 TAAR1 (0.57) TAAR1HTR1ACSNK1A1TYRO3DYRK1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 TAAR1 903/4885HTR1A 2622/4885CSNK1A1 2839/4885

“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.