SCHEMBL2885857

SCHEMBL2885857

COc1ccc(-c2cc3cnncn3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
STAT1 P42224 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
PKM P14618 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
F2RL3 Q96RI0 1/20 0.40

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
SCHEMBL11316335 0.74 HRH3 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL5214295 0.72 AURKA (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL9952677 0.72 NPM1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2887160 0.71 POLB (0.58) ALDH1A1SMN1; SMN2MAPTKDM4EL3MBTL1
SCHEMBL15729859 0.69 NPC1 (0.57) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6821430 0.69 PDE10A (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL14557169 0.68 RAB9A (0.59) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6693299 0.66 ATM (0.55) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11512022 0.66 TP53 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL6107645 0.66 ALDH1A1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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 NPC1 2186/4885RAB9A 3692/4885ALDH1A1 1934/4885

“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.