SCHEMBL12732270

SCHEMBL12732270

CCC1C2C=CC(C2)C1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ POLB P06746 4/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ CYP2C19 P33261 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ AURKB Q96GD4 2/20 0.32
▸ KDR P35968 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ APEX1 P27695 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL13346491 0.85 ALDH1A1 (0.35) ALDH1A1POLBRAB9ACYP2C19MEN1
SCHEMBL351244 0.82 POLB (0.47) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL23612574 0.82 POLB (0.37) ALDH1A1POLBRAB9ASMN1; SMN2HTT
SCHEMBL13346345 0.82 POLB (0.37) ALDH1A1POLBRAB9ASMN1; SMN2HTT
SCHEMBL13346511 0.81 RAB9A (0.39) ALDH1A1POLBRAB9ACYP2C19MEN1
SCHEMBL2549326 0.79 ALDH1A1 (0.41) ALDH1A1POLBRAB9ACYP2C19MEN1
SCHEMBL9073184 0.79 ALDH1A1 (0.41) ALDH1A1POLBRAB9ACYP2C19MEN1
SCHEMBL13346522 0.78 RAB9A (0.31) RAB9A
SCHEMBL13346481 0.77 RAB9A (0.39) RAB9AMEN1KMT2A
SCHEMBL13346474 0.77 RAB9A (0.36) RAB9ACYP2C19MEN1KMT2A

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-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-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-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 — — US disclosed
EP-1734061-B1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer and uses thereof MITSUI CHEMICALS INC (JP) 2010-04-07 — — EP disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 — — US disclosed
US-7393907-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2008-07-01 — — 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 ALDH1A1 3801/4885POLB 3121/4885RAB9A 2453/4885
US-20070213375-A1 Triazole derivatives useful as Axl inhibitors AXL, TYRO3, FLT3 ALDH1A1 4026/4885POLB 4096/4885RAB9A 2572/4885

“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.

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