SCHEMBL2646665

SCHEMBL2646665

Cn1ncnc1COc1nc2c(cnn2-c2ccccc2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 16/20 0.41
GABRB3 P28472 16/20 0.41
GABRA3 P34903 16/20 0.41
GABRA1 P14867 8/20 0.41
GABRA2 P47869 5/20 0.41
GABRA5 P31644 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2649439 0.88 GABRG2 (0.44) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7079058 0.85 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2649504 0.80 ALDH1A1 (0.45) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2650206 0.73 ALDH1A1 (0.43) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2648091 0.73 GABRA1 (0.48) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658954 0.72 GABRG2 (0.41) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657570 0.72 GABRG2 (0.53) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7238799 0.71 GABRG2 (0.41) GABRG2GABRB3GABRA3GABRA1GABRA5
SCHEMBL2657618 0.71 GABRG2 (0.52) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658148 0.68 GSK3A (0.40) GABRG2GABRB3GABRA3GABRA1GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541484-B2 Central nervous system disorders; psychological disorders MERCK SHARP & DOHME LIMITED 2003-04-01 US disclosed
US-20030004180-A1 Pyrazolo-pyridine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-01-02 US disclosed
EP-1244659-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2002-10-02 EP disclosed
WO-2001044244-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2001-06-21 WO 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-20030004180-A1 Pyrazolo-pyridine derivatives as ligands for gaba receptors GABRA3, GABRA4, GABRB3 GABRG2 16/4885GABRB3 3/4885GABRA3 1/4885

“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.