SCHEMBL22095437

SCHEMBL22095437

COC(=O)c1c(Br)c(-c2ccc(F)cc2)cn1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.48
SLC6A4 P31645 2/20 0.48
PTGS1 P23219 2/20 0.42
IKBKB O14920 1/20 0.40
PTGS2 P35354 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL30725401 0.77 TSHR (0.37) LMNAMEN1KMT2AGFERRAB9A
SCHEMBL24309245 0.74 SLC6A3 (0.40) SLC6A3SLC6A4PTGS1IKBKBPTGS2
SCHEMBL25277220 0.71 SLC6A3 (0.53) SLC6A3SLC6A4PTGS1IKBKBPTGS2
SCHEMBL22095701 0.69 SLC6A3 (0.50) SLC6A3SLC6A4PTGS1IKBKBPTGS2
SCHEMBL12164803 0.68 RAB9A (0.49) LMNAMEN1KMT2AGFERNPC1
SCHEMBL30590680 0.68 CYP46A1 (0.49) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL29111803 0.68 SLC6A3 (0.52) SLC6A3SLC6A4PTGS1MEN1KMT2A
SCHEMBL6375585 0.67 HTR3A (0.55) SLC6A3SLC6A4HTR3A
SCHEMBL21561527 0.66 ATM (0.35) LMNAMEN1KMT2AGFERNPC1
SCHEMBL29775120 0.66 SCN4A (0.44) SLC6A3SLC6A4LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 US disclosed
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 US disclosed
WO-2020123994-A1 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-06-18 WO disclosed
WO-2020123994-A1 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-06-18 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 (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-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CYP2C19, CYP2D6, CYP2C8 SLC6A3 2811/4885SLC6A4 2508/4885PTGS1 1336/4885

“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.