SCHEMBL964527

SCHEMBL964527

Cc1cc(CCBr)nn1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.51
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 3/20 0.36
HPGD P15428 2/20 0.35
CYP3A4 P08684 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
GLS O94925 1/20 0.34
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL1279668 0.83
SCHEMBL9965045 0.81 BCHE (0.49) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL292212 0.79 BCHE (0.47) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL21894060 0.79 BCHE (0.47) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL2631521 0.78 BCHE (0.46) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL22245536 0.76 BCHE (0.45) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL256103 0.76
SCHEMBL27437975 0.75 BCHE (0.30) BCHE
SCHEMBL18255991 0.75 BCHE (0.44) BCHEALDH1A1LMNASMN1; SMN2ALOX15
SCHEMBL28136861 0.75 KCNH2 (0.44) BCHEALDH1A1LMNASMN1; SMN2ALOX15

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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-20 US disclosed
EP-2264026-A1 ALKYLAMINOPYRIDINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-22 EP 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-20110015181-A1 ALKYLAMINOPYRIDINE DERIVATIVE NPY4R, NPY1R, NPY2R BCHE 3677/4885ALDH1A1 4371/4885LMNA 3108/4885

“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.