SCHEMBL2886423

SCHEMBL2886423

COc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 1.00
TP53 P04637 3/20 1.00
RXFP1 Q9HBX9 2/20 0.76
THRB P10828 1/20 0.76
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
LMNA P02545 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
GABRA1 P14867 4/20 0.65
GABRG2 P18507 4/20 0.65
GABRB3 P28472 4/20 0.65
GABRA5 P31644 4/20 0.65
GABRA3 P34903 4/20 0.65
GABRA2 P47869 4/20 0.65
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
POLB P06746 1/20 0.56

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
SCHEMBL10876854 0.83 MAPT (0.74) MAPTTP53RXFP1THRBNPC1
SCHEMBL496814 0.83 MAPT (0.76) MAPTTP53RXFP1THRBNPC1
SCHEMBL10664153 0.83 MAPT (0.76) MAPTTP53RXFP1THRBNPC1
SCHEMBL2885346 0.82 MAPT (0.77) MAPTTP53RXFP1THRBNPC1
SCHEMBL10685990 0.81 MAPT (0.72) MAPTTP53RXFP1NPC1RAB9A
SCHEMBL10667693 0.81 MAPT (0.70) MAPTTP53RXFP1THRBNPC1
SCHEMBL2027232 0.80 MAPT (0.67) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL10680977 0.80 MAPT (0.70) MAPTTP53RXFP1NPC1RAB9A
SCHEMBL10678162 0.80 MAPT (0.70) MAPTTP53RXFP1THRBNPC1
SCHEMBL2024771 0.79 MAPT (0.69) MAPTTP53NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645756-B2 6-[4-(3-piperidin-1-ylpropoxy)-phenyl]-[1,2,4]triazolo[4,3-b]pyridazine; has histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect; for metabolic system, circulatory system or nervous system diseases BANYU PHARMACEUTICAL CO. LTD. (JP) 2010-01-12 US disclosed
US-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative MSD K.K. (JP) 2007-07-19 US disclosed
EP-1719756-A1 NITROGENOUS FUSED HETEROAROMATIC RING DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-08 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-20070167453-A1 Nitrogenous fused heteroaromatic ring derivative HRH3, HRH2, HRH4 MAPT 3450/4885TP53 3079/4885RXFP1 450/4885

“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.