SCHEMBL2885333

SCHEMBL2885333

COc1ccc(-c2cc3nncn3nc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 5/20 0.40
HPGD P15428 5/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 3/20 0.40
PKM P14618 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.38
ATM Q13315 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 4/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2884822 0.82 ALDH1A1 (0.39) POLBALDH1A1KDM4EHPGDNPC1
SCHEMBL2887160 0.75 POLB (0.58) POLBALDH1A1KDM4ESMN1; SMN2PKM
SCHEMBL15424462 0.69 KDM4E (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL1376022 0.69 HTR3A (0.58) POLBALDH1A1KDM4EHPGDNPC1
SCHEMBL2886682 0.66 BACE1 (0.46) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2880935 0.66 ABL1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL28466324 0.65 MAPT (0.47) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL11491065 0.65 SCN5A (0.66) KDM4ENPC1RAB9AKMT2APKM
SCHEMBL21084563 0.64 RAB9A (0.53) POLBALDH1A1KDM4EHPGDNPC1
SCHEMBL679848 0.63 SMN1; SMN2 (0.55) KDM4ENPC1RAB9ASMN1; SMN2KMT2A

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 POLB 4606/4885ALDH1A1 1934/4885KDM4E 4024/4885

“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.