SCHEMBL7241576

SCHEMBL7241576

O=C1CN(c2nc3c(-c4ccccc4F)nnn3c3ccccc23)CCN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
POLB P06746 2/20 0.45
TP53 P04637 4/20 0.44
SCN9A Q15858 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL7242245 0.91 MAPT (0.46) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7245777 0.86 MAPT (0.52) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7242634 0.83 POLB (0.45) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7241756 0.83 MAPT (0.51) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7243828 0.82 POLB (0.47) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7242624 0.81 MAPT (0.65) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7242372 0.81 MAPT (0.46) MAPTPOLBTP53PKMALDH1A1
SCHEMBL2658901 0.80 POLB (0.45) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7241685 0.80 MAPT (0.43) MAPTPOLBTP53PKMALDH1A1
SCHEMBL7241998 0.79 KMT2A (0.53) MAPTPOLBTP53ALDH1A1KDM4E

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 1447/4885POLB 3552/4885TP53 4589/4885

“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.