SCHEMBL17260261

SCHEMBL17260261

CC(F)(F)c1ncccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
AXL P30530 1/20 0.33
PDK2 Q15119 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 3/20 0.32
HSP90AA1 P07900 3/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL18397039 0.88 GRM4 (0.35) GRM4ENPP3ENPP1AXLPDK2
SCHEMBL31068961 0.88 GRM4 (0.35) GRM4ENPP3ENPP1AXLPDK2
SCHEMBL29601934 0.83 ENPP3 (0.43) ENPP3ENPP1AXLPDK2TRPM8
SCHEMBL12203098 0.83 AXL (0.35) GRM4AXLKMT2AHTTHSP90AA1
SCHEMBL1336101 0.83 ENPP3 (0.43) ENPP3ENPP1AXLPDK2TRPM8
SCHEMBL14333347 0.83 AXL (0.35) AXLKMT2AHTTHSP90AA1MEN1
Bromide SCHEMBL28204049 0.81 ENPP3 (0.42) ENPP3ENPP1AXLPDK2TRPM8
SCHEMBL16836001 0.79 SMN1; SMN2 (0.35) GRM4AXLPDK2KMT2AHTT
SCHEMBL1332467 0.79 AXL (0.33) AXLKMT2AHTTHSP90AA1MEN1
SCHEMBL20640057 0.77 TRPM8 (0.37) GRM4PDK2TRPM8HTTSMN1; SMN2

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-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-10-17 US disclosed
US-11958865-B1 Leucine-rich repeat kinase 2 (LRRK2) inhibitors H. LUNDBECK A/S (DK) 2024-04-16 US disclosed
WO-2024056775-A1 MACROCYCLIC LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS H. LUNDBECK A/S (DK) 2024-03-21 WO disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed
US-9688678-B2 Oxindole compounds carrying a nitrogen-bound spiro substituent and use thereof for treating vasopressin-related diseases AbbVie Deutschland GmbH & Co. KG (DE) 2017-06-27 US disclosed
EP-3143024-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-22 EP disclosed
US-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-11-19 US disclosed
WO-2015173393-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2015-11-19 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 (3 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-20150329551-A1 OXINDOLE COMPOUNDS CARRYING A NITROGEN-BOUND SPIRO SUBSTITUENT AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AVPR2, AVPR1B, AVPR1A GRM4 2218/4885ENPP3 3577/4885ENPP1 4363/4885
US-20240343741-A1 LEUCINE-RICH REPEAT KINASE 2 (LRRK2) INHIBITORS LRRK2, PARK7, PINK1 GRM4 1626/4885ENPP3 3152/4885ENPP1 3157/4885
US-11958865-B1 Leucine-rich repeat kinase 2 (LRRK2) inhibitors LRRK2, PARK7, PINK1 GRM4 1626/4885ENPP3 3152/4885ENPP1 3157/4885

“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.