SCHEMBL5997254

SCHEMBL5997254

O=C(Nc1cn(C2CCC2)cn1)Oc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 11/20 0.63
▸ CDK5R1 Q15078 10/20 0.63
▸ GSK3B P49841 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CCNE1 P24864 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6213955 0.75 OTUD7B (0.46) CDK5ALDH1A1CCNE1CDK2MAPT
SCHEMBL29739274 0.73 DEGS1 (0.46) CDK5ALDH1A1RAB9ACCNE1CDK2
SCHEMBL1269214 0.73 CDK5 (0.57) CDK5CDK5R1GSK3B
SCHEMBL6216418 0.70 NPY5R (0.45) CDK5ALDH1A1RAB9ACCNE1CDK2
SCHEMBL6215219 0.70 NPY5R (0.46) CDK5ALDH1A1RAB9ACCNE1CDK2
SCHEMBL11966195 0.68 RAB9A (0.45) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL29177237 0.68 ALDH1A1 (0.59) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL16775795 0.68 ALDH1A1 (0.43) CDK5ALDH1A1RAB9ACCNE1CDK2
SCHEMBL1011540 0.68 RAB9A (0.59) ALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL31286005 0.68 RAB9A (0.59) ALDH1A1RAB9AMAPTSMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7078529-B2 N-[1-(bi)cycloaliphatic-1H-imidazol-4-yl]-(bi)cycloaliphatic acetamides; central nervous system disorders; enzyme inhibitors of cyclin-dependent kinase-2 and -5, and glycogen synthase kinase-3 PFIZER INC. (US) 2006-07-18 — — US claimed
EP-1305295-A1 IMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2003-05-02 — — EP claimed
US-20020119963-A1 Imidazole derivatives PFIZER PRODUCTS INC. 2002-08-29 — — US claimed
WO-2002010141-A1 IMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-02-07 — — WO claimed
US-7078529-B2 N-[1-(bi)cycloaliphatic-1H-imidazol-4-yl]-(bi)cycloaliphatic acetamides; central nervous system disorders; enzyme inhibitors of cyclin-dependent kinase-2 and -5, and glycogen synthase kinase-3 PFIZER INC. (US) 2006-07-18 — — US disclosed
US-20060149066-A1 Imidazole derivatives PFIZER INC 2006-07-06 — — US disclosed
US-20040192750-A1 Antiproliferative agents; anticancer agents; neurodegenerative agents sexual disorders; antidiabetic agents; urogenital disorders; antidiabetic agents; obesity; muscular disorders; aftertreatment surgery; autoimmune disease PFIZER INC 2004-09-30 — — US disclosed
US-6756385-B2 FERTILITY; ANTIDIABETIC AGENTS PFIZER INC. 2004-06-29 — — US disclosed
EP-1305295-A1 IMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2003-05-02 — — EP disclosed
US-20030083352-A1 Synthesis of imidazole intermediates PFIZER INC. 2003-05-01 — — US disclosed
US-20020119963-A1 Imidazole derivatives PFIZER PRODUCTS INC. 2002-08-29 — — US disclosed
WO-2002010141-A1 IMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-02-07 — — WO 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 (4 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-20030083352-A1 Synthesis of imidazole intermediates CDK1, CDK2, CDK3 CDK5 4/4885CDK5R1 16/4885GSK3B 9/4885
US-20060149066-A1 Imidazole derivatives CDK1, CDK3, CKMT1A; CKMT1B CDK5 6/4885CDK5R1 11/4885GSK3B 14/4885
US-20020119963-A1 Imidazole derivatives CDK1, CDK3, CDK2 CDK5 4/4885CDK5R1 16/4885GSK3B 6/4885
US-20040192750-A1 Antiproliferative agents; anticancer agents; neurodegenerative agents sexual disorders; antidiabetic agents; urogenital disorders; antidiabetic agents; obesity; muscular disorders; aftertreatment surgery; autoimmune disease CDK1, CDK3, CDK5 CDK5 3/4885CDK5R1 9/4885GSK3B 5/4885

“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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