SCHEMBL6168511

SCHEMBL6168511

CCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.51
PDE2A O00408 2/20 0.50
PDE10A Q9Y233 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
DRD2 P14416 1/20 0.49
TBXA2R P21731 1/20 0.49
MAPT P10636 5/20 0.48
TP53 P04637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL6171536 0.92 CNR2 (0.56) ALOX5APPDE2AMEN1KMT2ASMN1; SMN2
SCHEMBL6171260 0.92 DRD2 (0.52) PDE2APDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL7676640 0.90 PDE2A (0.53) PDE2APDE10ACYP1A2CYP3A4CYP2D6
SCHEMBL7668569 0.88 TDP1 (0.52) PDE2APDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL6170162 0.87 ALOX5AP (0.54) ALOX5APMEN1KMT2ASMN1; SMN2CYP1A2
SCHEMBL169971 0.86 KDM4E (0.53) PDE2APDE10ASMN1; SMN2NPSR1MAPT
SCHEMBL6169005 0.86 PDE2A (0.55) ALOX5APPDE2APDE10AMEN1KMT2A
SCHEMBL6169187 0.86 AGTR1 (0.52) PDE2APDE10ASMN1; SMN2NPSR1MAPT
SCHEMBL6168983 0.85 PDE2A (0.56) ALOX5APPDE2APDE10AMEN1KMT2A
SCHEMBL6171449 0.84 CNR2 (0.54) ALOX5APPDE2AMEN1KMT2ASMN1; SMN2

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
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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 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 3905/4885PDE2A 3774/4885PDE10A 4080/4885

“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.