SCHEMBL6170736

SCHEMBL6170736

O=C(NCc1ccccn1)c1ccc2nc(C3CCC3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
PDE2A O00408 1/20 0.52
KDM4E B2RXH2 3/20 0.48
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.47
ROCK2 O75116 2/20 0.47
NAMPT P43490 1/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.45
DGAT2 Q96PD7 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CASP6 P55212 1/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL6168534 0.97 PDE2A (0.53) RAB9APDE2AKDM4ERXFP1TP53
SCHEMBL6168600 0.85 PDE2A (0.60) RAB9APDE2AKDM4ETP53ROCK2
SCHEMBL6168869 0.83 TP53 (0.56) PDE2AKDM4ETP53ROCK2NAMPT
SCHEMBL6172347 0.82 RAB9A (0.45) RAB9AKDM4ETP53ROCK2KMT2A
SCHEMBL7674177 0.82 PDE2A (0.55) RAB9APDE2AKDM4ETP53ROCK2
SCHEMBL6169384 0.81 PDE2A (0.53) PDE2AKDM4ETP53NAMPTPOLB
SCHEMBL6169524 0.78 KDM4E (0.55) RAB9APDE2AKDM4ETP53ROCK2
SCHEMBL6169577 0.78 ALOX5AP (0.47) RAB9ATP53ALDH1A1
SCHEMBL7672912 0.78 ALDH1A2 (0.45) RAB9AKDM4ETP53ALDH1A1
SCHEMBL6170409 0.78 PPARG (0.58) RAB9APDE2AKDM4ETP53NAMPT

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 RAB9A 3277/4885PDE2A 3774/4885KDM4E 2132/4885

“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.