SCHEMBL6172347

SCHEMBL6172347

O=C(Nc1ccccn1)c1ccc2nc(C3CC3)n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ BTK Q06187 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ ACKR3 P25106 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ RPS6KA2 Q15349 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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 0.86 PDE2A (0.53) RAB9AKDM4EALDH1A1PKMROCK2
SCHEMBL6170736 0.82 RAB9A (0.53) RAB9AKDM4EALDH1A1PKMROCK2
SCHEMBL6169577 0.82 ALOX5AP (0.47) RAB9AALDH1A1NPC1PPARGTNF
SCHEMBL7672912 0.82 ALDH1A2 (0.45) RAB9AKDM4EALDH1A1NPC1PPARG
SCHEMBL7675357 0.81 JAK2 (0.51) KDM4EALDH1A1TNFTP53
Hydrochloric Acid SCHEMBL6168624 0.81 ALDH1A2 (0.45) RAB9AKDM4EALDH1A1NPC1PPARG
SCHEMBL6170374 0.78 PPARG (0.60) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL7673764 0.77 PDE2A (0.51) SMN1; SMN2KDM4EALDH1A1PPARGTNF
SCHEMBL7593057 0.77 PPARG (0.50) RAB9ASMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL6170906 0.76 PKM (0.46) RAB9ASMN1; SMN2ALDH1A1NPC1PKM

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 RAB9A 3277/4885SMN1; SMN2 4367/4885KDM4E 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.

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