SCHEMBL2888905

SCHEMBL2888905

COc1ccc(-c2nn3cnnc3c3cnccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 5/20 0.43
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
KDR P35968 2/20 0.37
BMP4 P12644 1/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 4/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 2/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL2885674 0.77 HRH3 (0.52)
SCHEMBL2885687 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL2883455 0.77 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL2880329 0.73 HRH3 (0.52) ALDH1A1MAOBKDM4ESMN1; SMN2
SCHEMBL31359869 0.70 NPSR1 (0.43) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL2887717 0.70 NPSR1 (0.43) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL26516521 0.70 KMT2A (0.43) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL26115418 0.70 LMNA (0.46) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL2886259 0.70 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1HTTMAPT
SCHEMBL10662541 0.68 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1HTTMAPT

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 ALDH1A1 1934/4885KMT2A 694/4885MEN1 1259/4885

“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.