SCHEMBL1802006

SCHEMBL1802006

Fc1ccc2c(c1)[nH]c1cnccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 8/20 0.77
KIF11 P52732 2/20 0.63
ACHE P22303 1/20 0.59
TDO2 P48775 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
IKBKB O14920 1/20 0.56
AURKA O14965 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PIM1 P11309 1/20 0.56
TOP1 P11387 1/20 0.56
GABRA1 P14867 1/20 0.56
IDO1 P14902 1/20 0.56
HPGD P15428 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GABRB3 P28472 1/20 0.56

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
SCHEMBL29985895 0.87 CHUK (1.00) CHUKKIF11ACHETDO2KDM4E
SCHEMBL14253012 0.87 CHUK (1.00) CHUKKIF11ACHETDO2KDM4E
SCHEMBL1517851 0.82 KIF11 (0.61) CHUKKIF11ACHEKDM4EALDH1A1
SCHEMBL10134607 0.82 PARP1 (0.63) CHUKKIF11ACHEKDM4ECCNB2
SCHEMBL29507671 0.82 KIF11 (0.61) CHUKKIF11ACHEKDM4EALDH1A1
SCHEMBL12396541 0.82 CHUK (0.78) CHUKKIF11ACHETDO2KDM4E
SCHEMBL30322777 0.82 CHUK (0.78) CHUKKIF11ACHETDO2KDM4E
SCHEMBL4822655 0.78 KIF11 (0.58) CHUKKIF11TDO2KDM4EGABRP
SCHEMBL2768542 0.78 CHUK (0.77) CHUKKIF11TDO2KDM4EGABRP
SCHEMBL2770395 0.78 CHUK (0.77) CHUKKIF11TDO2KDM4EGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 EP disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 EP disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
EP-1268477-B1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2010-04-21 EP disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 US disclosed
WO-2004092167-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
US-20040110759-A1 Substituted beta carbolines AVENTIS PHARMA DEUTSCHLAND GMBH 2004-06-10 US disclosed
US-6627637-B2 I kappa B kinase inhibitors for treating various disorders including arthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-30 US disclosed
EP-1268477-A1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
US-20020099068-A1 Substituted beta carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
EP-1209158-A1 Substituted beta-carbolines Aventis Pharma Deutschland GmbH (DE) 2002-05-29 EP disclosed
WO-2001068648-A1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-20 WO disclosed
EP-1134221-A1 Substituted beta-carbolines as lkB kinase inhibitors Aventis Pharma Deutschland GmbH (DE) 2001-09-19 EP 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 (5 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-20040110759-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CHUK 52/4885KIF11 3229/4885ACHE 904/4885
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease IL1B, IL1A, ADRA2B CHUK 439/4885KIF11 3951/4885ACHE 1010/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 CHUK 6/4885KIF11 3691/4885ACHE 2470/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG CHUK 8/4885KIF11 3667/4885ACHE 2175/4885
US-20020099068-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CHUK 52/4885KIF11 3229/4885ACHE 904/4885

“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.