SCHEMBL6169021

SCHEMBL6169021

Cc1ccccc1Cn1c(C)nc2ccc(C(=O)NCc3ccccn3)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
PDE2A O00408 1/20 0.53
NAMPT P43490 1/20 0.52
PIK3CA P42336 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
TP53 P04637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
NR4A1 P22736 1/20 0.48
APEX1 P27695 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
SCHEMBL6168600 0.91 PDE2A (0.60) KDM4EPDE2ANAMPTPIK3CARAB9A
SCHEMBL6168971 0.89 TP53 (0.56) KDM4EPDE2ANAMPTPIK3CATP53
SCHEMBL6168857 0.89 NAMPT (0.56) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6170298 0.88 PPARG (0.58) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6169569 0.88 EPHX2 (0.58) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6169739 0.88 PDE2A (0.49) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6170170 0.87 ALDH1A1 (0.53) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6170409 0.86 PPARG (0.58) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6167822 0.86 HDAC1 (0.57) KDM4EPDE2ANAMPTPIK3CANPC1
SCHEMBL6170217 0.86 RORC (0.51) KDM4EPDE2ANAMPTPIK3CANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 EP claimed
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 KDM4E 2132/4885PDE2A 3774/4885NAMPT 123/4885

“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.