SCHEMBL1150210

SCHEMBL1150210

CCOc1cccc(C(CC)n2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ ITGB3 P05106 4/20 0.33
▸ ITGA2B P08514 4/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ BCL2 P10415 2/20 0.33
▸ MDM2 Q00987 2/20 0.33
▸ MCL1 Q07820 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL29922027 1.00 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7917122 0.99 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7913240 0.95 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7911578 0.93 BCL2 (0.35) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7911557 0.93 FFAR1 (0.35) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7903224 0.93 CYP19A1 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL7917118 0.93 ROCK2 (0.34) ROCK2TP53SMN1; SMN2ITGB3ITGA2B
SCHEMBL7913269 0.91 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL3209182 0.87 FFAR1 (0.34) ROCK2TP53PKMNFKB1NFKB2
SCHEMBL795594 0.87 ROCK2 (0.34) ROCK2TP53PKMNFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 — — US disclosed
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-08-18 — — US disclosed
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2011-02-03 — — US disclosed
US-20100040666-A1 Method for Control of Drug Elution Rate and Composition for Coating of Drug-Eluting Stent TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2010-02-18 — — US disclosed
US-20100040666-A1 Method for Control of Drug Elution Rate and Composition for Coating of Drug-Eluting Stent TOKYO MEDICAL AND DENTAL UNIVERSITY (JP) 2010-02-18 — — US disclosed
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2010-01-14 — — US disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 — — US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 — — US disclosed
US-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — 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 (7 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-20100040666-A1 Method for Control of Drug Elution Rate and Composition for Coating of Drug-Eluting Stent EDNRB, EDNRA, EPHB2 ROCK2 964/4885TP53 4737/4885PKM 3262/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ROCK2 2882/4885TP53 4842/4885PKM 872/4885
US-20110201665-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 ROCK2 1392/4885TP53 723/4885PKM 3228/4885
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D ROCK2 662/4885TP53 930/4885PKM 2122/4885
US-20110028510-A1 Compositions, Methods, and Kits for Treating Influenza Viral Infections IL5, CCL5, CCL11 ROCK2 1392/4885TP53 723/4885PKM 3228/4885
US-20100009934-A1 BETA ADRENERGIC RECEPTOR AGONISTS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADRB1, ADRB2, ADRA2B ROCK2 674/4885TP53 2817/4885PKM 4001/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 ROCK2 395/4885TP53 703/4885PKM 3481/4885

“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.

Send feedback