SCHEMBL95630

SCHEMBL95630

[CH2]c1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 8/20 0.65
JAK1 P23458 5/20 0.65
JAK2 O60674 5/20 0.65
CYP3A4 P08684 2/20 0.65
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
TAS1R2 Q8TE23 1/20 0.64
KMT2A Q03164 1/20 0.62
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ITGB1 P05556 5/20 0.48
ITGA4 P13612 5/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ITGA2 P17301 1/20 0.47
ITGB7 P26010 1/20 0.47

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
SCHEMBL4154853 0.83 TYK2 (0.71) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL678659 0.82 KMT2A (0.67) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL7384072 0.82 TYK2 (0.65) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL14532180 0.82 TYK2 (0.65) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL95731 0.81 SMO (0.71) TYK2JAK2KMT2AMAPTRAB9A
SCHEMBL6602761 0.79 TYK2 (0.61) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL13058075 0.79 TYK2 (0.61) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL6601710 0.79 TYK2 (0.61) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL6740620 0.79 TYK2 (0.65) TYK2JAK1JAK2CYP3A4TAS1R3
SCHEMBL701132 0.78 TAS1R3 (1.00) TYK2JAK1JAK2CYP3A4TAS1R3

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
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-6579889-B2 Alzheier's diseases; antiallergens; vision defects; antihistamines; skin disorders MERCK & CO., INC. 2003-06-17 US disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
US-6403584-B1 CONJUNCTIVITIS, ALLERGIC RHINITIS, ALZHEIMER'S DISEASE, ASTHMA, ATHEROSCLEROSIS, AUTOLOGOUS BONE MARROW TRANSPLANTATION, ANTIINFLAMMATORY, ETC MERCK & CO., INC. 2002-06-11 US disclosed
US-20020019419-A1 Substituted isonipecotyl derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2002-02-14 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TYK2 1109/4885JAK1 275/4885JAK2 114/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TYK2 609/4885JAK1 95/4885JAK2 92/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TYK2 609/4885JAK1 95/4885JAK2 92/4885
US-20020019419-A1 Substituted isonipecotyl derivatives as inhibitors of cell adhesion VCAM1, ICAM1, CD4 TYK2 2391/4885JAK1 2987/4885JAK2 2285/4885

“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.