SCHEMBL2609432

SCHEMBL2609432

Cc1nsc2ccc(C(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
SCN4A P35499 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
GRM4 Q14833 1/20 0.36
PFKFB3 Q16875 5/20 0.36
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PFKFB4 Q16877 3/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
KIF11 P52732 1/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL17050428 0.85 NPC1 (0.41) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL17807754 0.81 NPC1 (0.38) LMNANPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL2615998 0.76 GRM4 (0.40) LMNARAB9AGRM4PARP15PARP10
SCHEMBL17826978 0.73 GRM4 (0.38) GRM4ALDH1A1KDM4EMAPT
SCHEMBL31165729 0.73 GRM4 (0.41) LMNANPC1RAB9ASMN1; SMN2GRM4
SCHEMBL30481262 0.73 EPAS1 (0.38) LMNAGRM4ALDH1A1HTT
SCHEMBL10164894 0.73 EPAS1 (0.38) LMNAGRM4ALDH1A1HTT
SCHEMBL855507 0.73 GRM4 (0.41) LMNANPC1RAB9ASMN1; SMN2GRM4
SCHEMBL7377972 0.73 GRM4 (0.38) GRM4ALDH1A1KDM4EMAPT
SCHEMBL13522721 0.71 NPC1 (0.44) LMNANPC1SCN4ARAB9ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023211990-A1 BICYCLIC HETEROCYCLIC AMIDE INHIBITORS OF NA V1.8 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2023-11-02 WO disclosed
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2007-09-13 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 (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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 LMNA 4114/4885NPC1 4265/4885SCN4A 4805/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 LMNA 4227/4885NPC1 4479/4885SCN4A 4744/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 LMNA 3384/4885NPC1 4029/4885SCN4A 3340/4885

“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.