SCHEMBL960054

SCHEMBL960054

CCOC(=O)c1c[nH]c2ccnn2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CLEC4M Q9H2X3 1/20 0.44
RAB9A P51151 1/20 0.44
HIF1A Q16665 1/20 0.44
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
NUDT1 P36639 1/20 0.42
GABRB1 P18505 1/20 0.41
GABRA3 P34903 1/20 0.41
DPP4 P27487 1/20 0.41
TSHR P16473 1/20 0.41
PDE4A P27815 1/20 0.40
CYP1A2 P05177 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
SCHEMBL26134669 0.89 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL8977944 0.82 PDE4A (0.43) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL27167870 0.76 MEN1 (0.46) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL13600223 0.76 KDM4E (0.49) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL15557932 0.75 MAPT (0.44) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL15548181 0.75 KMT2A (0.43) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL18057624 0.75 KDM4E (0.43) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL29227341 0.74 KDM4E (0.40) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL18057626 0.73 CSNK1D (0.43) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL1695429 0.71 RAB9A (0.50) ALDH1A1MAPTKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180226-B2 Spirotricycle RIPK1 inhibitors and methods of uses thereof MERCK SHARP & DOHME LLC (US) 2024-12-31 US disclosed
EP-4423096-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF Merck Sharp & Dohme LLC (US) 2024-09-04 EP disclosed
CN-118488957-A Spirotricyclic RIPK1 inhibitors and methods of use thereof 默沙东有限责任公司 2024-08-13 CN disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-13 US disclosed
WO-2013174931-A1 7-OXO-4,7 -DIHYDRO- PYRAZOLO [1, 5 -A] PYRIMIDINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE SAVIRA PHARMACEUTICALS GMBH (AT) 2013-11-28 WO disclosed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 US disclosed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 US disclosed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 US disclosed
EP-2231671-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2013-04-24 EP disclosed
US-20110008259-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-13 US disclosed
EP-2231671-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2010-09-29 EP disclosed
WO-2009076593-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-18 WO disclosed
WO-2009076593-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-18 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 (4 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-20110008259-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 ALDH1A1 3054/4885MAPT 4860/4885KDM4E 4314/4885
US-12180226-B2 Spirotricycle RIPK1 inhibitors and methods of uses thereof RIPK1, RIPK3, RIPK4 ALDH1A1 3865/4885MAPT 4499/4885KDM4E 3571/4885
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 ALDH1A1 3865/4885MAPT 4499/4885KDM4E 3571/4885
US-20140073653-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC4 ALDH1A1 2414/4885MAPT 4880/4885KDM4E 3191/4885

“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.