SCHEMBL17010504

SCHEMBL17010504

COC(=O)c1cc(N)c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.39
ALDH1A1 P00352 6/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL17010516 1.00 IDH1 (0.39) IDH1ALDH1A1HTTTDP1ALOX15
SCHEMBL17010514 1.00 IDH1 (0.39) IDH1ALDH1A1HTTTDP1ALOX15
SCHEMBL17010506 1.00 IDH1 (0.39) IDH1ALDH1A1HTTTDP1ALOX15
SCHEMBL17010503 1.00 IDH1 (0.39) IDH1ALDH1A1HTTTDP1ALOX15
SCHEMBL17009701 0.87 GAA (0.43) IDH1ALDH1A1HTTTDP1KDM4E
SCHEMBL17009707 0.87 GAA (0.43) IDH1ALDH1A1HTTTDP1KDM4E
SCHEMBL17010485 0.87 ALDH1A1 (0.37) IDH1ALDH1A1HTTTDP1ALOX15
SCHEMBL17009704 0.87 GAA (0.43) IDH1ALDH1A1HTTTDP1KDM4E
SCHEMBL17010488 0.87 ALDH1A1 (0.37) IDH1ALDH1A1HTTTDP1ALOX15
SCHEMBL17010487 0.87 ALDH1A1 (0.37) IDH1ALDH1A1HTTTDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
EP-3105210-B1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma AG (DE) 2019-01-30 EP disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-9951027-B2 Benzimidazol-2-amines as MIDH1 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
US-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM, STIFTUNG DES ÖFFENTLICHEN RECHTS (DE) 2017-07-13 US disclosed
EP-3105210-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-12-21 EP disclosed
WO-2015121209-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-20 WO disclosed
WO-2015121209-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 (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-20170197922-A1 BENZIMIDAZOL-2-AMINES AS MIDH1 INHIBITORS HRH1, HRH2, HRH3 IDH1 166/4885ALDH1A1 706/4885HTT 1398/4885

“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.