SCHEMBL12709547

SCHEMBL12709547

CC(C)c1ccc2oc(COC3CCCCO3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.37
▸ KDM4C Q9H3R0 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HRH3 Q9Y5N1 2/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CREBBP Q92793 2/20 0.31
▸ IDO1 P14902 1/20 0.30
▸ EP300 Q09472 1/20 0.30

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
SCHEMBL12880511 0.84 P2RX3 (0.39) P2RX3KDM4CNPC1RAB9AL3MBTL1
SCHEMBL12709567 0.75 RAB9A (0.43) P2RX3NPC1RAB9ASLC6A3L3MBTL1
SCHEMBL856221 0.70 MEN1 (0.38) KDM4CNPC1RAB9ASLC6A3L3MBTL1
SCHEMBL22825114 0.69 KDM4E (0.39) NPC1RAB9AMEN1KMT2A
SCHEMBL17887375 0.68 KMT2A (0.39) P2RX3KDM4CNPC1RAB9AL3MBTL1
SCHEMBL12709549 0.68 TBK1 (0.41) P2RX3NPC1RAB9AMEN1KMT2A
SCHEMBL12357030 0.67 F2 (0.41) P2RX3NPC1RAB9AMEN1KMT2A
SCHEMBL12357039 0.66 ACHE (0.41) NPC1RAB9ASLC6A3MEN1KMT2A
SCHEMBL22859636 0.66 ICAM1 (0.39) P2RX3KDM4CNPC1RAB9AL3MBTL1
SCHEMBL7231881 0.66 KMT2A (0.40) NPC1RAB9ASLC6A3MEN1KMT2A

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
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — 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 (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-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 P2RX3 3407/4885KDM4C 4446/4885NPC1 4265/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 P2RX3 1370/4885KDM4C 4516/4885NPC1 4479/4885

“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.

Send feedback