SCHEMBL7243226

SCHEMBL7243226

Fc1ccccc1-c1nnn2c1nc(N1CCN(c3ccncc3)CC1)c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 3/20 0.43
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40
THRB P10828 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7241998 0.86 KMT2A (0.53) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7242624 0.86 MAPT (0.65) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7242486 0.84 MAPT (0.48) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7243542 0.84 MAPT (0.52) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7245777 0.84 MAPT (0.52) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7241756 0.83 MAPT (0.51) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7242880 0.82 MAPT (0.48) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7247694 0.82 MAPT (0.53) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7244034 0.82 POLB (0.55) MAPTNPSR1POLBTP53RXFP1
SCHEMBL7247667 0.82 RXFP1 (0.48) MAPTNPSR1POLBTP53RXFP1

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-20030045532-A1 Triazolo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-06 US claimed
US-20030045532-A1 Triazolo-pyrimidine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2003-03-06 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-20030045532-A1 Triazolo-pyrimidine derivatives as ligands for gaba receptors GABRA3, GABRA2, GABRA4 MAPT 1447/4885NPSR1 95/4885POLB 3552/4885

“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.