SCHEMBL5036306

SCHEMBL5036306

COc1cc2nc(C)cc(Cl)c2cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.47
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
CRHR1 P34998 3/20 0.38
AMY1A P0DUB6 2/20 0.38
AXL P30530 1/20 0.37
POLB P06746 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
NQO2 P16083 2/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL17372585 0.86 MAPT (0.56) MAPTLMNAPOLBNQO2PDE3B
SCHEMBL24659389 0.81 SLC2A1 (0.50) POLBALDH1A1NR4A2
SCHEMBL5040481 0.81 ESR1 (0.40) AMY1AAXLPOLBGRIN2DGRIN3B
SCHEMBL24659325 0.79 PRKDC (0.38) MAPTAMY1AAXLGRIN2DGRIN3B
SCHEMBL24659946 0.79 SRC (0.40) AMY1AAXLKDM4EPGK1GSK3B
SCHEMBL28499601 0.79 AXL (0.38) MAPTHSP90AA1HSP90AB1AMY1AAXL
SCHEMBL24659015 0.79 MAPT (0.42) MAPTLMNAPOLBSMN1; SMN2NR4A2
SCHEMBL24659400 0.78 NTSR1 (0.39) LMNAAMY1AAXLPDE3BPDE3A
SCHEMBL5518218 0.77 MAPT (0.50) MAPTLMNAHSP90AA1HSP90AB1CRHR1
SCHEMBL19610604 0.77 MAPT (0.50) MAPTLMNAHSP90AA1HSP90AB1CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117279914-A SOS1 inhibitor and preparation method and application thereof 南京再明医药有限公司 2023-12-22 CN disclosed
WO-2022161461-A1 SOS1 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 江苏先声药业有限公司 2022-08-04 WO disclosed
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAPT 3753/4885LMNA 3209/4885HSP90AA1 2680/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R MAPT 3753/4885LMNA 3209/4885HSP90AA1 2680/4885

“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.