SCHEMBL4580428

SCHEMBL4580428

COc1cc2ccn(-c3ccc(C#N)c(Nc4ccccc4)c3)c2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
MAP2K1 Q02750 6/20 0.40
CSNK2A1 P68400 1/20 0.39
PRKCQ Q04759 1/20 0.39
PTK2 Q05397 2/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
BRD1 O95696 1/20 0.35
BRPF1 P55201 1/20 0.35
BRPF3 Q9ULD4 1/20 0.35
ADORA2A P29274 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
SCHEMBL4581311 0.79 HSP90AA1 (0.48) KDM4EMEN1LMNAMAPTHPGD
SCHEMBL31267276 0.70 GAA (0.58) MAP2K1KDM4EMEN1LMNAGAA
SCHEMBL4581437 0.70 GAA (0.43) MAP2K1KDM4EMEN1LMNAGAA
SCHEMBL693826 0.67 NR3C2 (0.44) CYP19A1HPGD
SCHEMBL25374578 0.66 ALDH1A1 (0.57) MAP2K1CSNK2A1PRKCQKDM4EMEN1
SCHEMBL6154479 0.66 IMPDH2 (0.60) MAP2K1CSNK2A1PRKCQRAF1IMPDH2
SCHEMBL694021 0.66 CYP19A1 (0.41) CYP19A1PTK2MAPTIMPDH2IMPDH1
SCHEMBL695251 0.65 CYP19A1 (0.44) CYP19A1PTK2KDM4E
SCHEMBL16383646 0.65 CYP19A1 (0.41) CYP19A1MEN1KMT2AIMPDH2IMPDH1
SCHEMBL14061696 0.64 FGFR1 (0.42) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US claimed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO claimed
EP-2662367-B1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-17 EP disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
US-9120780-B2 Indole or indazole derivative or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-9120780-B2 Indole or indazole derivative or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-01 US disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-10-31 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US disclosed
WO-2011004610-A1 AZABICYCLO COMPOUND AND SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-01-13 WO disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-05-22 US disclosed
WO-2008024978-A2 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2008-02-28 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-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 CYP19A1 1721/4885MAP2K1 258/4885CSNK2A1 574/4885
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P CYP19A1 2897/4885MAP2K1 370/4885CSNK2A1 173/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 CYP19A1 1721/4885MAP2K1 258/4885CSNK2A1 574/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 CYP19A1 384/4885MAP2K1 3250/4885CSNK2A1 1128/4885

“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.