SCHEMBL2880935

SCHEMBL2880935

COc1ccc(-c2cc(Cl)nnc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 3/20 0.41
PTGS2 P35354 2/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 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
SCHEMBL5222119 0.83 KMT2A (0.44) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL2886682 0.79 BACE1 (0.46) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL25230310 0.78 CYP1A2 (0.47) ABL1RAB9AKMT2ADYRK1AKDM4E
SCHEMBL5221958 0.78 ALDH1A1 (0.51) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL5226884 0.76 MAPK14 (0.50) NPC1RAB9AKDM4EGCGRMAPK14
SCHEMBL8834226 0.76 POLB (0.43) NPC1RAB9ASMN1; SMN2KMT2APTGS2
SCHEMBL5225894 0.75 DYRK1A (0.44) SMN1; SMN2KMT2ADYRK1AKDM4EMAPT
SCHEMBL3721277 0.72 KMT2A (0.49) NPC1RAB9AKMT2AKDM4EMAPT
SCHEMBL4716113 0.70 TP53 (0.46) ABL1ABCB1BCRNPC1RAB9A
SCHEMBL31465398 0.70 NPC1 (0.47) ABCB1NPC1RAB9ASMN1; 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 ABL1 788/4885ABCB1 1510/4885BCR 1114/4885

“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.