SCHEMBL5111459

SCHEMBL5111459

Cc1ccc(C2=NC=C[N]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 2/20 0.38
NOTUM Q6P988 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NISCH Q9Y2I1 2/20 0.33
LMNA P02545 2/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
TP53 P04637 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
SCHEMBL481996 0.76 CYP1A2 (0.39) POLBNOTUMNPC1RAB9ALMNA
SCHEMBL4870893 0.74 HPGDS (0.42) NPC1RAB9APKM
SCHEMBL15599511 0.69 TDP1 (0.47) TDP1ACHEPOLBNOTUMKMT2A
SCHEMBL7175606 0.69 APP (0.46) ACHEPOLBNOTUMKMT2AALDH1A1
SCHEMBL3287696 0.66 ACHE (0.73) TDP1ACHEALDH1A1LMNAHPGD
SCHEMBL18661495 0.66 ACHE (0.73) TDP1ACHEALDH1A1LMNAHPGD
SCHEMBL197731 0.66 ACHE (0.73) TDP1ACHEALDH1A1LMNAHPGD
Water SCHEMBL3680095 0.63 ACHE (0.67) TDP1ACHEALDH1A1LMNAHPGD
Water SCHEMBL3763584 0.63 ACHE (0.67) TDP1ACHEALDH1A1LMNAHPGD
SCHEMBL31591282 0.63 ACHE (0.67) TDP1ACHEALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
CN-101778838-A Azacyclylbenzamide derivatives as histamine-3 antagonists WYETH CORP 2010-07-14 CN disclosed
US-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
EP-1513820-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 EP disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed
US-20050148593-A1 Treating cell proliferation disorder, anticancer agents CYTOKINETICS, INC. 2005-07-07 US disclosed
EP-1513820-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-03-16 EP disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 US disclosed
WO-2003103575-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-18 WO disclosed
CN-87107723-A Agent of dihydropyridine anti-allergy and anti-inflammatory agent 1988-05-18 CN 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-20050148593-A1 Treating cell proliferation disorder, anticancer agents MKI67, PCNA, CCNH TDP1 785/4885ACHE 4339/4885POLB 402/4885
US-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA TDP1 1140/4885ACHE 3035/4885POLB 205/4885

“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.