SCHEMBL4580698

SCHEMBL4580698

NC(=O)c1ccc(-n2ccc3ccccc32)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.54
PIM1 P11309 1/20 0.54
PIM3 Q86V86 1/20 0.54
TRAP1 Q12931 2/20 0.46
DOT1L Q8TEK3 2/20 0.45
RORC P51449 1/20 0.44
BIRC5 O15392 1/20 0.43
F10 P00742 1/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.41
HSP90B1 P14625 1/20 0.41
LMNA P02545 1/20 0.39
PARP1 P09874 2/20 0.39
PLAU P00749 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39

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
SCHEMBL4581753 0.81 ROCK2 (0.50) ROCK2PIM1PIM3PARP1L3MBTL1
SCHEMBL4578786 0.79 ROCK2 (0.45) ROCK2PIM1PIM3F10TSHR
SCHEMBL2640132 0.78 F10 (0.59) ROCK2PIM1PIM3RORCF10
SCHEMBL31116766 0.76 BIRC5 (0.47) TRAP1DOT1LBIRC5HSP90AA1HSP90AB1
SCHEMBL4792570 0.75 RORC (0.60) RORCLMNA
Hydrochloric Acid SCHEMBL10637882 0.75 ROCK2 (0.66) ROCK2PIM1PIM3BIRC5F10
SCHEMBL5661104 0.74 BIRC5 (0.56) TRAP1DOT1LBIRC5HSP90AA1HSP90AB1
SCHEMBL31116722 0.74 BIRC5 (0.56) TRAP1DOT1LBIRC5HSP90AA1HSP90AB1
SCHEMBL30928942 0.74 NPC1 (0.46) ROCK2PIM1PIM3TRAP1BIRC5
SCHEMBL30637639 0.74 NPC1 (0.46) ROCK2PIM1PIM3TRAP1BIRC5

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 ROCK2 614/4885PIM1 4623/4885PIM3 4337/4885
US-20130289072-A1 NOVEL INDOLE OR INDAZOLE DERIVATIVE OR SALT THEREOF HSP90AB1, HSP90AA1, HSP90AB2P ROCK2 553/4885PIM1 1587/4885PIM3 683/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 ROCK2 614/4885PIM1 4623/4885PIM3 4337/4885
US-20080119457-A1 Benzene, Pyridine, and Pyridazine Derivatives MKI67, CCNB1, RB1 ROCK2 2857/4885PIM1 1374/4885PIM3 2773/4885

“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.