SCHEMBL102010

SCHEMBL102010

O=c1cc[c]nn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
PTGS2 P35354 1/20 0.44
IDO1 P14902 2/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
TDO2 P48775 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5137302 0.80 GSK3A (0.46) ALDH1A1GSK3AGSK3BMGLLPKM
SCHEMBL14074040 0.71 PTGS2 (0.62) ALDH1A1MAPTHPGDKDM4EPTGS2
SCHEMBL4182991 0.70 CYP19A1 (0.48) ALDH1A1MAPTHPGDKDM4EPTGS2
SCHEMBL104990 0.69 ALDH1A1 (0.58) ALDH1A1MAPTHPGDKDM4EPTGS2
SCHEMBL5095183 0.69 TSHR (0.45) ALDH1A1KDM4EPTGS2MEN1KMT2A
SCHEMBL583731 0.68 CYP19A1 (0.48) ALDH1A1MAPTKDM4EGSK3AGSK3B
SCHEMBL9326162 0.68 HTT (0.39) ALDH1A1MAPTIDO1MEN1KMT2A
SCHEMBL29250802 0.68 RECQL (0.50) ALDH1A1MAPTHPGDKDM4EGSK3A
SCHEMBL9472059 0.68 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4EPTGS2
SCHEMBL6133942 0.68 ALDH1A1 (0.56) ALDH1A1MAPTHPGDKDM4EPTGS2

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP claimed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP claimed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US claimed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO claimed
US-20090105209-A1 BTK protein kinase inhibitors ROCHE PALO ALTO LLC 2009-04-23 US claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
EP-2205564-B1 NOVEL KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2014-07-30 EP disclosed
EP-2426109-A1 NOVEL KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-07 EP disclosed
US-20110319349-A1 Methods for Reducing Platelet Activation and for the Treatment of Thrombotic Events SCOTT ROBERT A D (US) 2011-12-29 US disclosed
US-7943618-B2 Btk protein kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-05-17 US disclosed
EP-2205564-A1 NOVEL KINASE INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053269-A1 NOVEL KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO disclosed
US-5459147-A Angeotensin-antagonistic effects; hypotensive, antiischemic, and antidiabetic agents, treating glaucoma DR. KARL THOMAE GMBH (DE) 1995-10-17 US disclosed
US-5385925-A Benzimidazoles, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1995-01-31 US disclosed
EP-0560330-A2 Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-09-15 EP disclosed
EP-0556789-A2 Substituted biphenyl derivatives, therapeutic agents containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-08-25 EP disclosed
US-5238937-A PYRIDAZINY OR OXODIHYDROPYRIDAZINYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 1993-08-24 US disclosed
EP-0502314-A1 Benzimidazol, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-09 EP disclosed
EP-0468470-A1 Benzimidazoles, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-01-29 EP 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-20090105209-A1 BTK protein kinase inhibitors BTK, SYK, LYN ALDH1A1 3990/4885MAPT 3889/4885HPGD 3768/4885
US-20110319349-A1 Methods for Reducing Platelet Activation and for the Treatment of Thrombotic Events PLAT, F2, TFPI ALDH1A1 689/4885MAPT 4792/4885HPGD 385/4885

“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.