SCHEMBL17626720

SCHEMBL17626720

CN(C)c1ccn2cc(-c3ccc4c(c3)OCCO4)nc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.58
RAB9A P51151 13/20 0.58
KDM4E B2RXH2 10/20 0.58
MAPT P10636 10/20 0.58
PKM P14618 3/20 0.58
ALDH1A1 P00352 11/20 0.54
SMN1; SMN2 Q16637 9/20 0.54
TP53 P04637 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
KLF5 Q13887 1/20 0.46
CD274 Q9NZQ7 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 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
SCHEMBL17626909 0.93 ALDH1A1 (0.61) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL17626914 0.84 NPC1 (0.46) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL16212738 0.81 NPC1 (0.64) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL17626767 0.80 ALDH1A1 (0.55) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL17626816 0.77 RAB9A (0.57) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL17626879 0.76 APP (0.58) NPC1RAB9AKDM4EALDH1A1KMT2A
SCHEMBL23407686 0.76 ALDH1A1 (0.85) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL17626857 0.76 AHR (0.44) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL17626742 0.76 TLR9 (0.47) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL17626867 0.74 TLR9 (0.58) NPC1RAB9AKDM4EMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN-LA ROCHE INC. (US) 2017-05-11 US claimed
EP-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 EP claimed
US-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US disclosed
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN-LA ROCHE INC. (US) 2017-05-11 US disclosed
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN-LA ROCHE INC. (US) 2017-05-11 US disclosed
US-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN-LA ROCHE INC. (US) 2017-05-11 US disclosed
EP-2999701-B1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN LA ROCHE (US) 2017-04-12 EP disclosed
EP-2999701-B1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS HOFFMANN LA ROCHE (US) 2017-04-12 EP disclosed
EP-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 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-20170128598-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS MAPT, AOC2, AOC3 NPC1 1400/4885RAB9A 3502/4885KDM4E 3506/4885

“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.