SCHEMBL18172298

SCHEMBL18172298

Nc1cc(Br)cnc1NCCC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.38
OPRL1 P41146 3/20 0.36
PRKCQ Q04759 2/20 0.35
CCNT1 O60563 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SCN5A Q14524 1/20 0.33
PRMT3 O60678 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
CSF1R P07333 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MERTK Q12866 1/20 0.32
ADORA2A P29274 1/20 0.32
OPRK1 P41145 1/20 0.31

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
SCHEMBL3997197 0.86 CSF1R (0.43) JAK3PRKCQCCNT1CSF1R
SCHEMBL14905734 0.82 PRKCQ (0.38) JAK3OPRL1PRKCQCCNT1CHRM2
SCHEMBL18172300 0.80 MAPT (0.36) JAK3OPRL1PRKCQSCN5APRMT3
SCHEMBL3961727 0.77 JAK3 (0.40) JAK3OPRL1PRKCQCCNT1KDM1A
SCHEMBL18172301 0.76 PIM1 (0.44) CHRM1
SCHEMBL3367671 0.76 PTGER4 (0.41) PRKCQPDE10AADORA2A
SCHEMBL14247238 0.76 AAK1 (0.44) OPRL1PRKCQCHRM2CHRM1CHRM3
SCHEMBL6690001 0.74 CCNT1 (0.38) JAK3OPRL1PRKCQCCNT1KDM1A
SCHEMBL24270537 0.74 SCN5A (0.41) JAK3OPRL1PRKCQCCNT1CHRM2
SCHEMBL29492760 0.74 SCN5A (0.41) JAK3OPRL1PRKCQCCNT1CHRM2

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-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
EP-3286188-B1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2019-03-20 EP disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
EP-3286188-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES Cellcentric Ltd (GB) 2018-02-28 EP disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO disclosed
WO-2016170323-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2016-10-27 WO 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 (2 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 JAK3 4057/4885OPRL1 1348/4885PRKCQ 1192/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 JAK3 4057/4885OPRL1 1348/4885PRKCQ 1192/4885

“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.