SCHEMBL6168474

SCHEMBL6168474

N#Cc1ccc2nc(C3CC3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 12/20 0.47
▸ DPP4 P27487 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TNF P01375 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ NOD1 Q9Y239 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ ACSS2 Q9NR19 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ BRD4 O60885 1/20 0.40

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
SCHEMBL7672912 0.79 ALDH1A2 (0.45) ALOX5APTNFNOD2NOD1MCHR1
SCHEMBL6169577 0.79 ALOX5AP (0.47) ALOX5APDPP4TNFMCHR1ACSS2
SCHEMBL6170454 0.79 ALOX5AP (0.55) ALOX5APACSS2ALDH1A1GAA
Hydrochloric Acid SCHEMBL6168624 0.78 ALDH1A2 (0.45) ALOX5APTNFNOD2NOD1MCHR1
SCHEMBL7675357 0.78 JAK2 (0.51) ALOX5APDPP4TNFNOD2NOD1
SCHEMBL7673764 0.74 PDE2A (0.51) ALOX5APTNFNOD2NOD1MCHR1
SCHEMBL6170906 0.72 PKM (0.46) ALDH1A1
SCHEMBL7705354 0.72 HRH1 (0.38) ALOX5APKCNH2TNFMCHR1ALDH1A1
SCHEMBL6172347 0.71 RAB9A (0.45) TNFALDH1A1
SCHEMBL6170082 0.70 PDE2A (0.49) ALOX5APDPP4TNFNOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 — — EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 — — US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 — — US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 — — US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 — — US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 — — 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 (1 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 ALOX5AP 3905/4885DPP4 1328/4885KCNH2 3851/4885

“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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