SCHEMBL1810035

SCHEMBL1810035

NC(=O)c1nc(Cc2ncc[nH]2)c(C(N)=O)c(Cc2ncc[nH]2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.39
TBXAS1 P24557 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
FDPS P14324 1/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TERT O14746 1/20 0.34
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
ALOX15 P16050 1/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
FPR2 P25090 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
JAK3 P52333 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
SCHEMBL1811127 0.83 TAAR1 (0.44) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL1793714 0.70 TAAR1 (0.51) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL1806772 0.70 ALOX15 (0.38) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL1810955 0.69 TAAR1 (0.46) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL7019374 0.69 TAAR1 (0.57) TAAR1TBXAS1HTR1AGAASMN1; SMN2
SCHEMBL1807964 0.69 TAAR1 (0.46) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL1794401 0.69 TAAR1 (0.47) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL1812653 0.68 TAAR1 (0.42) TAAR1TBXAS1HTR1AFDPSGAA
SCHEMBL1679282 0.68 TAAR1 (0.64) TAAR1TBXAS1HTR1AADRA2AADRA2B
SCHEMBL480968 0.68

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 903/4885TBXAS1 514/4885HTR1A 2622/4885

“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.