SCHEMBL2887969

SCHEMBL2887969

Oc1ccc(-c2ccc3nncn3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
POLB P06746 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.52
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 3/20 0.50
PKM P14618 1/20 0.50
PPARG P37231 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.45
MET P08581 2/20 0.43

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
SCHEMBL5806164 0.84 TDP1 (0.54) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11628950 0.83 KDM4E (0.53) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL10806026 0.83 KDM4E (0.57) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11629082 0.83 KDM4E (0.53) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11626523 0.83 KDM4E (0.58) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL23143371 0.81 DYRK1A (0.57) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11622428 0.79 KDM4E (0.50) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11626405 0.79 KDM4E (0.53) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL2887160 0.79 POLB (0.58) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL11624876 0.79 KDM4E (0.50) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814357-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP claimed
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 KDM4E 4024/4885POLB 4606/4885MAPT 3450/4885

“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.