SCHEMBL6995544

SCHEMBL6995544

COc1cc(C(=O)NC(C)(C)C)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PTPN7 P35236 1/20 0.47
DUSP3 P51452 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
ANO1 Q5XXA6 2/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL24666420 0.86 ALDH1A1 (0.45) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL13175755 0.85 HTR4 (0.44) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL6998810 0.85 HTR4 (0.47) ALDH1A1MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL14452333 0.85 RAB9A (0.50) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL23224211 0.85 IMPDH2 (0.60) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL6997419 0.83 TAS1R3 (0.52) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL72600 0.82 PLK1 (0.53) ALDH1A1MAPTCYP3A4CYP1A2CYP2C9
SCHEMBL9473662 0.82 ALDH1A1 (0.50) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL5678411 0.82 CA1 (0.56) ALDH1A1MAPTCYP3A4MEN1CYP1A2
SCHEMBL2952897 0.82 MAPT (0.48) ALDH1A1MAPTKMT2ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752624-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2020-08-25 US disclosed
US-20180305356-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2018-10-25 US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 US disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2007095188-A2 DIHYDRODIAZEPINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-23 WO disclosed
EP-0950047-B1 INDOLIN-2-ONE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI SYNTHELABO (FR) 2003-10-15 EP disclosed
EP-0873309-B1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI SYNTHELABO (FR) 2002-12-18 EP disclosed
US-6090818-A CARDIOVASCULAR DISORDERS; ANTISECRETORY AGENTS; OXYTOCIN, VASOPRESSIN ANTAGONIST SANOFI-SYNTHELABO (FR) 2000-07-18 US disclosed
US-6046341-A AN ACTIVE DRUG HAVING AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI-SYNTHELABO (FR) 2000-04-04 US disclosed
US-5994350-A CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; RESPIRATORY SYSTEM DISORDERS SANOFI-SYNTHELABO (FR) 1999-11-30 US disclosed
EP-0950047-A1 INDOLIN-2-ONE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
EP-0873309-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1998-10-28 EP disclosed
WO-1998025901-A1 INDOLIN-2-ONE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1998-06-18 WO disclosed
WO-1997015556-A1 3-SPIRO-INDOLIN-2-ONE DERIVATIVES AS VASOPRESSIN AND/OR OXYTOCIN RECEPTOR LIGANDS SANOFI (FR) 1997-05-01 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 (5 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885MAPT 470/4885CYP3A4 4198/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885MAPT 501/4885CYP3A4 3280/4885
US-20180305356-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 4333/4885MAPT 470/4885CYP3A4 4198/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885MAPT 438/4885CYP3A4 4148/4885
US-10752624-B2 Kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4184/4885MAPT 438/4885CYP3A4 4148/4885

“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.