SCHEMBL277613

SCHEMBL277613

c1ccc2c(c1)CC1c3ccccc3NC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8946291 1.00 MAPT (0.50) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946294 1.00 MAPT (0.50) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946299 0.82 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946297 0.82 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946652 0.82 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946647 0.82 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946301 0.82 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL8946640 0.82 MAPT (0.55) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL10061178 0.81 AURKA (0.46) AURKAAURKBNLRP3
SCHEMBL8946492 0.78 KDM4E (0.55) MAPTKDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP claimed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO claimed
EP-2079691-B1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOUR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS UNIV DUESSELDORF H HEINE (DE) 2013-08-14 EP disclosed
US-8133913-B2 Substituted indeno [1,2-b]indole derivatives as novel inhibitors of protein kinase CK2 and their use as tumor therapeutic agents, cytostatics and diagnostic aids Heinrich-Heine Universitat Dusseldof (DE) 2012-03-13 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 US disclosed
US-7829641-B2 Process for the preparation of multimodal polyethylene resins EQUISTAR CHEMICALS, LP (US) 2010-11-09 US disclosed
US-20100056599-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS HEINRICH-HEINE UNIVERSITAT DUSSELDORF (DE) 2010-03-04 US disclosed
US-20100016526-A1 Process for the preparation of multimodal polyethylene resins EQUISTAR CHEMICALS, LP 2010-01-21 US disclosed
EP-2079691-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOUR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS Heinrich-Heine-Universität Düsseldorf (DE) 2009-07-22 EP disclosed
WO-2008040547-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOUR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS HEINRICH-HEINE UNIVERSITÄT DÜSSELDORF (DE) 2008-04-10 WO disclosed
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
WO-1992006956-A1 INDENOINDOLE COMPOUNDS UNIVERSITY OF BATH (GB) 1992-04-30 WO disclosed
EP-0481708-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1992-04-22 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 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 (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-20100056599-A1 SUBSTITUTED INDENO[1,2-B]INDOLE DERIVATIVES AS NOVEL INHIBITORS OF PROTEIN KINASE CK2 AND THEIR USE AS TUMOR THERAPEUTIC AGENTS, CYTOSTATICS AND DIAGNOSTIC AIDS CDK2, CSNK1A1, CDK1 MAPT 2352/4885KDM4E 2927/4885ALDH1A1 3394/4885
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 MAPT 3984/4885KDM4E 2378/4885ALDH1A1 1302/4885

“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.