SCHEMBL14983418

SCHEMBL14983418

Fc1ncnc2c1ncn2-c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 10/20 0.40
▸ PI4K2B Q8TCG2 10/20 0.40
▸ PI4K2A Q9BTU6 10/20 0.40
▸ PI4KB Q9UBF8 10/20 0.40
▸ EGFR P00533 1/20 0.38
▸ ADORA2A P29274 4/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA2B P29275 2/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ HTT P42858 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14983420 0.82 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14983415 0.81 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14983408 0.73 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL6942099 0.71 MKNK2 (0.40) ADORA2AADORA1ADORA3ADORA2BALDH1A1
SCHEMBL31289390 0.71 HPRT1 (0.42) ALDH1A1
SCHEMBL14983422 0.70 FGFR1 (0.41) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL14983412 0.67 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL16949944 0.64 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL6948090 0.64 ADORA2A (0.41) ADORA2AADORA1ADORA2BHTTKDM4E
SCHEMBL7078191 0.63 NT5E (0.34) ADORA2AHPGD

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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