SCHEMBL4099375

SCHEMBL4099375

Nc1ncc(Br)cc1OCc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.52
MAP4K3 Q8IVH8 1/20 0.48
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
AURKB Q96GD4 4/20 0.42
INCENP Q9NQS7 4/20 0.42
CCR5 P51681 1/20 0.41
PARP10 Q53GL7 1/20 0.40
MGMT P16455 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
SCHEMBL29857792 1.00 SYK (0.52) SYKMAP4K3NPC1HTTRAB9A
SCHEMBL16212182 0.86 HRH1 (0.42) SYKMAP4K3NPC1HTTRAB9A
SCHEMBL26916915 0.83 RAB9A (0.43) SYKMAP4K3NPC1HTTRAB9A
SCHEMBL29857955 0.83 RAB9A (0.43) SYKMAP4K3NPC1HTTRAB9A
SCHEMBL488302 0.80 LTA4H (0.57) MAP4K3NPC1HTTRAB9ASMN1; SMN2
SCHEMBL9117255 0.78 LTA4H (0.67) SYKNPC1HTTRAB9ASMN1; SMN2
SCHEMBL488392 0.78 IDO1 (0.46) NPC1HTTRAB9ASMN1; SMN2PARP10
SCHEMBL23248035 0.76 ABCB1 (0.44) SYKABCB1HTR1ADRD2AURKB
SCHEMBL16211702 0.76 L3MBTL1 (0.45) HTTRAB9ASMN1; SMN2CCR5
SCHEMBL16211844 0.76 KDM4E (0.43) NPC1HTTRAB9ASMN1; SMN2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174683-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-30 US disclosed
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI SYK 805/4885MAP4K3 689/4885NPC1 1802/4885
US-20240174683-A1 MAP4K1 INHIBITORS MAP3K4, MAP4K4, MAP4K1 SYK 1249/4885MAP4K3 6/4885NPC1 3141/4885

“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.