SCHEMBL14983413

SCHEMBL14983413

FC(F)(F)c1ncnc2c1ncn2-c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 9/20 0.38
▸ PI4K2B Q8TCG2 9/20 0.38
▸ PI4K2A Q9BTU6 9/20 0.38
▸ PI4KB Q9UBF8 9/20 0.38
▸ EGFR P00533 1/20 0.38
▸ HCAR1 Q9BXC0 1/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ CSNK1D P48730 2/20 0.32
▸ CSNK1E P49674 2/20 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
SCHEMBL14983412 0.81 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14983409 0.75 PI4KA (0.38) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL27511070 0.67 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL3136486 0.66 TLR7 (0.41) CSNK1DCSNK1E
SCHEMBL25878226 0.65 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL12628749 0.63 HCAR1 (0.49) HCAR1FGFR1
SCHEMBL2195380 0.61 HCAR1 (0.50) HCAR1FGFR1
SCHEMBL14983404 0.59 CYP2C19 (0.50) PI4KAPI4K2BPI4K2API4KB
SCHEMBL6442172 0.59 HTT (0.62) HCAR1FGFR1
SCHEMBL14983403 0.57 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KB

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-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 — — US disclosed
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 — — US disclosed
US-9139592-B2 Modulators of Nrf2 and uses thereof TRT PHARMA INC. (CA) 2015-09-22 — — US disclosed
US-9139592-B2 Modulators of Nrf2 and uses thereof TRT PHARMA INC. (CA) 2015-09-22 — — US disclosed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 — — US disclosed
US-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2013-05-30 — — 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-20130137694-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 PI4KA 1826/4885PI4K2B 1290/4885PI4K2A 1526/4885
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 PI4KA 1826/4885PI4K2B 1290/4885PI4K2A 1526/4885

“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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