SCHEMBL19932609

SCHEMBL19932609

Fc1ccc(-c2ccc(CBr)cn2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
MAP2K1 Q02750 2/20 0.42
MAPK14 Q16539 2/20 0.42
JAK2 O60674 1/20 0.42
KDR P35968 1/20 0.42
GSK3A P49840 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ALK Q9UM73 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL116392 0.85
SCHEMBL30462623 0.85
Bromide SCHEMBL25319134 0.83 CYP11B1 (0.44) CYP2E1CYP2A6CYP2B6CYP11B1CYP11B2
SCHEMBL15304176 0.83 RAB9A (0.58) RETMAP2K1MAPK14JAK2KDR
SCHEMBL19925525 0.83 KDM1A (0.43) RETMAP2K1MAPK14JAK2KDR
SCHEMBL6910763 0.79 SMN1; SMN2 (0.43) RETMAP2K1MAPK14NPC1RAB9A
SCHEMBL29574545 0.77 CCR1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1MAPK1
SCHEMBL2891450 0.77 CCR1 (0.40) NPC1RAB9ASMN1; SMN2NFKB1MAPK1
SCHEMBL9805438 0.77 RAB9A (0.63) RETMAP2K1MAPK14NPC1RAB9A
SCHEMBL507838 0.75 CYP11B1 (0.47) RETMAP2K1MAPK14NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040026-B2 Muscarinic M1 receptor positive allosteric modulators SUVEN LIFE SCIENCES LIMITED (IN) 2021-06-22 US disclosed
EP-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 EP disclosed
EP-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 EP disclosed
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2019-11-14 US disclosed
WO-2018042362-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LIMITED (IN) 2018-03-08 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-11040026-B2 Muscarinic M1 receptor positive allosteric modulators CHRM1, CHRM2, CHRM3 RET 786/4885MAP2K1 1641/4885MAPK14 1846/4885
US-20190343812-A1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM3 RET 786/4885MAP2K1 1641/4885MAPK14 1846/4885

“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.