SCHEMBL2885346

SCHEMBL2885346

Oc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.77
RXFP1 Q9HBX9 2/20 0.77
THRB P10828 1/20 0.77
TP53 P04637 2/20 0.70
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 1/20 0.58
HTT P42858 1/20 0.58
POLB P06746 1/20 0.56
GABRA1 P14867 2/20 0.55
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55

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
SCHEMBL2886423 0.82 MAPT (1.00) MAPTRXFP1THRBTP53TSHR
SCHEMBL10664705 0.76 RXFP1 (0.48) RXFP1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL4917283 0.75 SMN1; SMN2 (0.65) MAPTRXFP1THRBTP53TSHR
SCHEMBL10878254 0.74 SMN1; SMN2 (0.69) MAPTRXFP1THRBTP53TSHR
SCHEMBL497285 0.74 NPC1 (0.69) MAPTRXFP1THRBTSHRNPC1
SCHEMBL10666086 0.74 TSHR (0.67) MAPTRXFP1THRBTP53TSHR
SCHEMBL10878043 0.74 TSHR (0.67) MAPTRXFP1THRBTP53TSHR
SCHEMBL7454713 0.73 MAPT (0.62) MAPTRXFP1THRBTP53TSHR
SCHEMBL10662302 0.71 GABRA1 (0.71) MAPTRXFP1THRBTSHRNPC1
SCHEMBL10666106 0.71 TSHR (0.66) MAPTRXFP1THRBTP53TSHR

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 3450/4885RXFP1 450/4885THRB 1308/4885

“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.