SCHEMBL2879799

SCHEMBL2879799

COc1ccc(-c2nnc(Cl)c3ccccc23)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
CYP2A6 P11509 2/20 0.41
KDR P35968 3/20 0.41
ATR Q13535 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 1/20 0.39
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PDGFRB P09619 1/20 0.38

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
SCHEMBL1396133 0.78 NPSR1 (0.57) L3MBTL1KDRALDH1A1LMNAHTT
SCHEMBL31359827 0.78 NPSR1 (0.57) L3MBTL1KDRALDH1A1LMNAHTT
SCHEMBL19806090 0.74 KDM4E (0.58) L3MBTL1HSD17B1HSD17B2CYP2A6KDR
SCHEMBL1931675 0.73 KDR (0.44) KDRALDH1A1LMNAHTTNPSR1
SCHEMBL25379113 0.73 CYP2A6 (0.46) HSD17B1HSD17B2CYP2A6MKNK1MKNK2
SCHEMBL30482571 0.73 CYP2A6 (0.46) HSD17B1HSD17B2CYP2A6MKNK1MKNK2
SCHEMBL7904780 0.73 ALDH1A1 (0.60) L3MBTL1ALDH1A1LMNAHTTNPSR1
SCHEMBL2886889 0.72 PDE4A (0.60) ALDH1A1LMNANPSR1MAPTHPGD
SCHEMBL1396090 0.72 KMT2A (0.57) L3MBTL1KDRALDH1A1LMNANPSR1
SCHEMBL31359722 0.72 KMT2A (0.57) L3MBTL1KDRALDH1A1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1922183-B Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD 2010-05-26 CN disclosed
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
CN-1922183-A Nitrogenous fused heteroaromatic ring derivative BANYU PHARMA CO LTD (JP) 2007-02-28 CN 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 L3MBTL1 2263/4885HSD17B1 2203/4885HSD17B2 1706/4885

“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.