SCHEMBL5094757

SCHEMBL5094757

CCc1ccc(C(=O)C(=CN(C)C)c2ncc[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ CXCR4 P61073 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32

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
SCHEMBL5094753 1.00 RAB9A (0.42) RAB9ANPC1ALDH1A1KDM4EPLK1
SCHEMBL7851656 0.90 RAB9A (0.42) RAB9ANPC1ALDH1A1KDM4EPLK1
SCHEMBL7021346 0.84 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2TAAR1
SCHEMBL7021343 0.84 RAB9A (0.42) RAB9ANPC1ALDH1A1SMN1; SMN2TAAR1
SCHEMBL5098916 0.81 CYP11B1 (0.43) RAB9ANPC1ALDH1A1HPGD
SCHEMBL5098910 0.81 CYP11B1 (0.43) RAB9ANPC1ALDH1A1HPGD
SCHEMBL7851657 0.72 RAB9A (0.39) RAB9ANPC1ALDH1A1KDM4EPLK1
SCHEMBL5099177 0.72 POLB (0.49) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5100945 0.72 POLB (0.49) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5099175 0.72 POLB (0.49) RAB9ANPC1ALDH1A1KDM4ESMN1; 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-7425557-B2 Inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-16 — — US disclosed
US-7045519-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-16 — — US disclosed
US-7037918-B2 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-05-02 — — US disclosed
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2006-04-27 — — US disclosed
EP-1087963-B1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORP (US) 2004-08-25 — — EP disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 — — US disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 — — EP disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 — — US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 — — US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 — — WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 — — EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 — — 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 (3 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-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4060/4885NPC1 2111/4885ALDH1A1 3522/4885
US-20060089369-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885NPC1 1941/4885ALDH1A1 3532/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB RAB9A 4093/4885NPC1 1941/4885ALDH1A1 3532/4885

“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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