SCHEMBL17614565

SCHEMBL17614565

Cc1ccc(-c2ccnc(OCc3c(C)cccc3-n3nnn(C)c3=O)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 2/20 0.33
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
RXRA P19793 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRM2 Q14416 1/20 0.30
BPGM P07738 1/20 0.30
BRD4 O60885 1/20 0.30
CDK9 P50750 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL16206052 0.93 RXRA (0.35) PIK3CAROCK2RXRAGRIN1GRIN2B
SCHEMBL17614566 0.92 MEN1 (0.37) PIK3CAMEN1KMT2AROCK2RXRA
SCHEMBL17615146 0.92 ROCK2 (0.38) PIK3CAMEN1KMT2AROCK2MAPT
SCHEMBL17614564 0.90 KMO (0.41) PIK3CAABL1BCRRXRAGRIN1
SCHEMBL16206042 0.87 PIK3CA (0.38) PIK3CAROCK2BRD4CDK9
SCHEMBL16206095 0.86 HTR7 (0.34) GRM2MAPTSMN1; SMN2
SCHEMBL17614559 0.84 MAPT (0.33) MEN1KMT2AABL1BCRMAPT
SCHEMBL17614570 0.84 TSHR (0.31)
SCHEMBL16206082 0.84 RXRA (0.34) RXRAGRIN1GRIN2B
SCHEMBL16206113 0.83 CDK9 (0.36) ABL1GRM2BRD4CDK9SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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 (1 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 PIK3CA 4099/4885MEN1 2582/4885KMT2A 2241/4885

“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.