SCHEMBL5489930

SCHEMBL5489930

Cc1ncc(C(=O)O)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.40
MAPT P10636 1/20 0.38
LCK P06239 3/20 0.38
CYP17A1 P05093 1/20 0.37
NAMPT P43490 1/20 0.37
METAP1 P53582 1/20 0.37
BRD4 O60885 1/20 0.36
GPR35 Q9HC97 1/20 0.36
ATR Q13535 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35

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
SCHEMBL29878128 1.00 BRD9 (0.40) BRD9MAPTLCKCYP17A1NAMPT
SCHEMBL4726039 0.84 ALDH1A1 (0.47) MAPT
SCHEMBL29877603 0.84 ALDH1A1 (0.47) MAPT
SCHEMBL12321293 0.81 MAP4K4 (0.40) BRD9LCKMETAP1ATR
SCHEMBL29759682 0.81 MAP4K4 (0.40) BRD9LCKMETAP1ATR
SCHEMBL2068048 0.81 AAK1 (0.48) BRD9LCKMETAP1ATR
SCHEMBL21783538 0.81 CYP17A1 (0.40) BRD9LCKCYP17A1METAP1ATR
SCHEMBL2258337 0.80 MAPT (0.42) MAPTCYP17A1NAMPTATR
SCHEMBL28209587 0.80 BRD9 (0.35) BRD9MAPTCYP17A1NAMPTMETAP1
SCHEMBL21339726 0.80 SMN1; SMN2 (0.41) BRD9MAPTLCKMETAP1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 EP disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 BRD9 3297/4885MAPT 3852/4885LCK 1244/4885

“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.