SCHEMBL17801869

SCHEMBL17801869

CCCc1nc2c(C)cc([B-](F)(F)F)cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
KMT2A Q03164 3/20 0.35
CACNA1H O95180 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
RPS6KA3 P51812 1/20 0.32
PRKCZ Q05513 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PDE10A Q9Y233 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
Potassium Ion SCHEMBL17801917 0.99 KDM4E (0.37) KDM4EACACBACACAKMT2ACACNA1H
SCHEMBL19342748 0.80 KDM4E (0.44) KDM4EACACBACACAKMT2ACACNA1H
SCHEMBL1918148 0.77 EGLN1 (0.40) KDM4EACACBACACAKMT2ACACNA1H
SCHEMBL6456171 0.75 ADORA3 (0.46) KDM4EKMT2AADORA3ADORA2AADORA1
SCHEMBL3640946 0.75 ACACB (0.36) KDM4EACACBACACAKMT2ACACNA1H
SCHEMBL4553606 0.73 ACACB (0.36) KDM4EACACBACACAKMT2ACACNA1H
SCHEMBL9754820 0.73 KMT2A (0.37) KDM4EACACBACACAKMT2APOLB
SCHEMBL3712698 0.73 KMT2A (0.38) KDM4EACACBACACAKMT2ACACNA1H
SCHEMBL158112 0.72 ACACB (0.45) KDM4EACACBACACAKMT2APRKCZ
SCHEMBL14855819 0.72 KMT2A (0.35) KDM4EACACBACACAKMT2ACACNA1H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10077242-B2 Convergent approach to the total synthesis of telmisartan via a suzuki cross-coupling reaction VIRGINIA COMMONWEALTH UNIVERSITY (US) 2018-09-18 US disclosed
US-20170260146-A1 A CONVERGENT APPROACH TO THE TOTAL SYNTHESIS OF TELMISARTAN VIA A SUZUKI CROSS-COUPLING REACTION VIRGINIA COMMONWEALTH UNIVERSITY 2017-09-14 US disclosed
WO-2016089845-A1 A CONVERGENT APPROACH TO THE TOTAL SYNTHESIS OF TELMISARTAN VIA A SUZUKI CROSS-COUPLING REACTION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2016-06-09 WO 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-10077242-B2 Convergent approach to the total synthesis of telmisartan via a suzuki cross-coupling reaction AGTR2, AGTR1, REN KDM4E 2667/4885ACACB 2198/4885ACACA 2595/4885
US-20170260146-A1 A CONVERGENT APPROACH TO THE TOTAL SYNTHESIS OF TELMISARTAN VIA A SUZUKI CROSS-COUPLING REACTION REN, AGTR1, AGTR2 KDM4E 2894/4885ACACB 2633/4885ACACA 3142/4885

“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.