SCHEMBL17626893

SCHEMBL17626893

CNc1ccn2cc(-c3ccc(OCCCF)cc3)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HRH3 Q9Y5N1 11/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL17626827 0.94 APP (0.44) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL18842967 0.94 APP (0.44) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL17626759 0.89 RAB9A (0.45) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL17626837 0.87 CHRNB2 (0.41) MAPTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL18730254 0.86 NPC1 (0.41) MAPTALDH1A1HRH3KDM4ESMN1; SMN2
SCHEMBL17626828 0.84 MAPT (0.39) MAPTMEN1KMT2AALDH1A1HRH3
SCHEMBL17626853 0.81 RAB9A (0.59) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL17626871 0.81 APP (0.42) MAPTKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL23220151 0.80 PDE10A (0.40) MEN1KMT2AALDH1A1HRH3KDM4E
SCHEMBL17626813 0.79 NPC1 (0.38) MAPTALDH1A1HRH3KDM4ESMN1; 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 10 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-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-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 MAPT 1/4885MEN1 3360/4885KMT2A 1125/4885

“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.