SCHEMBL3065929

SCHEMBL3065929

N#Cc1c[nH]c2c(N)cc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.47
▸ IMPDH2 P12268 1/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ CHEK1 O14757 1/20 0.35
▸ GSK3B P49841 2/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ HASPIN Q8TF76 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ TDO2 P48775 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ DPYD Q12882 1/20 0.31
▸ NFATC1 O95644 1/20 0.31

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
SCHEMBL3608578 0.79 DYRK1A (0.47) DYRK1AIMPDH2IMPDH1CHEK1GSK3B
SCHEMBL18130749 0.79 DYRK1A (0.40) DYRK1AIMPDH2IMPDH1CHEK1GSK3B
SCHEMBL2302616 0.79 DYRK1A (0.47) DYRK1AIMPDH2IMPDH1CHEK1LRRK2
SCHEMBL27174881 0.79 DYRK1A (0.41) DYRK1AIMPDH2IMPDH1GSK3BLRRK2
SCHEMBL27174878 0.76 DYRK1A (0.38) DYRK1AIMPDH2IMPDH1LRRK2
SCHEMBL3068718 0.73 GPR35 (0.46) DYRK1ACHEK1
SCHEMBL31677513 0.73 IDO1 (0.34) IDO1TDO2
SCHEMBL3073820 0.71 DYRK1A (0.66) DYRK1AIMPDH2IMPDH1GSK3BLRRK2
Hydrochloric Acid SCHEMBL2766486 0.71 IDO1 (0.33) IDO1TDO2
SCHEMBL3062645 0.70 HTR6 (0.55) DYRK1ACHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 — — US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 — — US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 — — US disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 — — EP disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 — — EP disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 — — 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 (3 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 DYRK1A 4492/4885IMPDH2 4659/4885IMPDH1 4617/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 DYRK1A 4492/4885IMPDH2 4659/4885IMPDH1 4617/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 DYRK1A 4839/4885IMPDH2 4600/4885IMPDH1 4488/4885

“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.

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