SCHEMBL17010485

SCHEMBL17010485

COC(=O)c1cc(N)c(N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ROCK2 O75116 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.34
PPP1CA P62136 1/20 0.34
IDH1 O75874 7/20 0.34
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
YAP1 P46937 1/20 0.33
PAK1 Q13153 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 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
SCHEMBL17010488 1.00 ALDH1A1 (0.37) ALDH1A1HTTTDP1ROCK2HPGD
SCHEMBL17010487 1.00 ALDH1A1 (0.37) ALDH1A1HTTTDP1ROCK2HPGD
SCHEMBL17010503 0.87 IDH1 (0.39) ALDH1A1HTTTDP1HPGDTSHR
SCHEMBL17010514 0.87 IDH1 (0.39) ALDH1A1HTTTDP1HPGDTSHR
SCHEMBL17010506 0.87 IDH1 (0.39) ALDH1A1HTTTDP1HPGDTSHR
SCHEMBL17010516 0.87 IDH1 (0.39) ALDH1A1HTTTDP1HPGDTSHR
SCHEMBL17010504 0.87 IDH1 (0.39) ALDH1A1HTTTDP1HPGDTSHR
SCHEMBL17009701 0.86 GAA (0.43) ALDH1A1HTTTDP1IDH1KDM4E
SCHEMBL17009704 0.86 GAA (0.43) ALDH1A1HTTTDP1IDH1KDM4E
SCHEMBL17009707 0.86 GAA (0.43) ALDH1A1HTTTDP1IDH1KDM4E

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
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
CN-105980365-A Benzimidazol-2-amines as mIDH1 inhibitors 拜耳医药股份公司 2016-09-28 CN 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 ALDH1A1 706/4885HTT 1398/4885TDP1 1041/4885

“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.