SCHEMBL4588444

SCHEMBL4588444

C[CH]c1ccc2[nH]cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ MMP12 P39900 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ IP6K1 Q92551 2/20 0.34
▸ IP6K3 Q96PC2 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ IP6K2 Q9UHH9 1/20 0.34

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
SCHEMBL4236815 0.81 MAPT (0.42) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL10465738 0.81 MAPT (0.42) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL1160196 0.81 CYP2A6 (0.47) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL14051691 0.80 HDAC1 (0.39) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL13749268 0.78 HDAC1 (0.40) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL11436689 0.77 HDAC1 (0.39) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL2653187 0.77 KDM4E (0.41) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL2653189 0.77 KDM4E (0.41) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL10817399 0.77 IP6K1 (0.59) MAPTKDM4EALDH1A1HDAC1PKM
SCHEMBL2606218 0.75 HDAC1 (0.39) MAPTKDM4ETDP1ALDH1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748159-A1 SERINE/THREONINE PAK1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-02 — — EP disclosed
WO-2013026914-A1 SERINE/THREONINE PAK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-28 — — WO disclosed
US-7326720-B2 Phenyl- and pyridylpiperidines with TNF activity SANOFI-AVENTIS (FR) 2008-02-05 — — US disclosed
US-7186720-B2 Tetrahydropyridyl-alkyl-heterocycles, method for preparing the same and pharmaceutical compositions containing the same SANOFI-AVENTIS (FR) 2007-03-06 — — US disclosed
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-07-15 — — US disclosed
US-20040127517-A1 Phenyl-and pyridyl-piperidines with tnf activity SANOFI-AVENTIS (FR) 2004-07-01 — — US disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 — — US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 — — US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 — — 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 (2 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-20040127517-A1 Phenyl-and pyridyl-piperidines with tnf activity TNF, TNFRSF1A, NGFR MAPT 3143/4885KDM4E 3255/4885TDP1 3456/4885
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same CYP2F1, CYP11B1, CYP11B2 MAPT 4119/4885KDM4E 2820/4885TDP1 2538/4885

“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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