SCHEMBL17019140

SCHEMBL17019140

COC(=O)Cc1cc(N)c(NC2CC(C)(C)CC(C)(C)C2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.42
AAK1 Q2M2I8 1/20 0.35
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL19097775 0.91 IDH1 (0.42) IDH1AAK1USP2CYP3A4ALDH1A1
SCHEMBL17019137 0.87 IDH1 (0.41) IDH1ALDH1A1GAAGFER
SCHEMBL17019139 0.87 IDH1 (0.44) IDH1ALDH1A1
SCHEMBL21278740 0.87 IDH1 (0.44) IDH1ALDH1A1
SCHEMBL17019138 0.87 IDH1 (0.44) IDH1ALDH1A1
SCHEMBL17019522 0.86 IDH1 (0.42) IDH1ALDH1A1GAAGFER
SCHEMBL17009861 0.83 IDH1 (0.33) IDH1AAK1USP2CYP3A4ALDH1A1
SCHEMBL17010448 0.80 GAA (0.46) IDH1CYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL17019515 0.79 ALDH1A1 (0.51) IDH1ALDH1A1TSHRMAPK1NPSR1
SCHEMBL17009697 0.78 IDH1 (0.44) IDH1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-10-15 US disclosed
EP-3105209-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-08-21 EP disclosed
US-9957235-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-01 US disclosed
US-9957235-B2 Benzimidazol-2-amines as mIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-01 US disclosed
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
WO-2015121210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 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-10442772-B2 Benzimidazol-2-amines as mIDH1 inhibitors HRH1, HRH2, HRH3 IDH1 173/4885AAK1 4130/4885USP2 1673/4885
US-20170197921-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 IDH1 173/4885AAK1 4130/4885USP2 1673/4885

“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.