SCHEMBL17626745

SCHEMBL17626745

[3H]C([3H])([3H])Nc1ccn2cc(-c3cccc(C)c3)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
PDE10A Q9Y233 6/20 0.40
GFER P55789 3/20 0.40
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPK1 P28482 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL17626799 0.91 PDE10A (0.45) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL18842965 0.91 PDE10A (0.45) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL18727921 0.82 ALDH1A1 (0.41) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL23418040 0.82 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL17626888 0.78 ALDH1A1 (0.50) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL17626860 0.78 PDE10A (0.47) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL17626808 0.77 GABRA1 (0.47) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL17626685 0.77 PDE10A (0.47) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL17626742 0.76 TLR9 (0.47) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL17626863 0.76 PDE10A (0.58) ALDH1A1RAB9AKDM4ENPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801961-B2 2-phenylimidazo[1,2-a]pyrimidines as imaging agents HOFFMANN-LA ROCHE INC. (US) 2017-10-31 US claimed
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-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-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 ALDH1A1 1850/4885RAB9A 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.