SCHEMBL300802

SCHEMBL300802

CCc1ccc(-n2ccnc2C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP19A1 P11511 1/20 0.61
ALDH1A1 P00352 1/20 0.57
GAA P10253 2/20 0.53
ALOX15B O15296 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2E1 P05181 1/20 0.51
CYP2A6 P11509 1/20 0.51
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
PDE3B Q13370 2/20 0.49
PDE3A Q14432 2/20 0.49
ADH5 P11766 2/20 0.48
NR3C2 P08235 4/20 0.46

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
SCHEMBL30558759 0.86 ALDH1A1 (0.71) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7809131 0.84 ALDH1A1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL112456 0.84 ALDH1A1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7802849 0.84 ALDH1A1 (0.56) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7809105 0.82 ALDH1A1 (0.54) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30305324 0.80 ADH5 (0.66) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL8268417 0.80 ALDH1A1 (0.65) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10760761 0.79 CYP3A4 (0.51) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11134249 0.79 CYP3A4 (0.77) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28226926 0.78 L3MBTL1 (0.57) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-09-22 US disclosed
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 US disclosed
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110269721-A1 METHODS OF TREATING THALASSEMIA TARGEGEN, INC. (US) 2011-11-03 US disclosed
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
WO-2010017122-A2 METHODS OF TREATING THALASSEMIA TARGEGEN INC. (US) 2010-02-11 WO disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
WO-2007053452-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2007-05-10 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 (8 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK CYP3A4 2947/4885CYP1A2 1992/4885CYP2D6 1648/4885
US-20190308942-A1 SMALL MOLECULE INDUCERS OF REACTIVE OXYGEN SPECIES AND INHIBITORS OF MITOCHONDRIAL ACTIVITY SQOR, MAVS, TFAM CYP3A4 840/4885CYP1A2 1522/4885CYP2D6 2236/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CYP3A4 2243/4885CYP1A2 1393/4885CYP2D6 1108/4885
US-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 CYP3A4 722/4885CYP1A2 859/4885CYP2D6 1329/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 CYP3A4 1702/4885CYP1A2 1622/4885CYP2D6 965/4885
US-20110269721-A1 METHODS OF TREATING THALASSEMIA JAK2, STAT5A, STAT5B CYP3A4 4652/4885CYP1A2 4129/4885CYP2D6 4426/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CYP3A4 2361/4885CYP1A2 1488/4885CYP2D6 1125/4885
US-10781183-B2 Small molecule inducers of reactive oxygen species and inhibitors of mitochondrial activity SQOR, MAVS, TFAM CYP3A4 840/4885CYP1A2 1522/4885CYP2D6 2236/4885

“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.