SCHEMBL4280552

SCHEMBL4280552

OCCNc1[c]nccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPK1 P28482 4/20 0.40
ALDH1A1 P00352 5/20 0.37
GAA P10253 4/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 2/20 0.37
MITF O75030 1/20 0.37
TTR P02766 1/20 0.37
RAD52 P43351 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
DYRK3 O43781 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL2068624 0.81 KDM4E (0.38) KDM4EALDH1A1RAD52ADRA2AADRA2B
SCHEMBL933771 0.79 RAD52 (0.45) KDM4EMAPK1ALDH1A1POLBRAD52
SCHEMBL933411 0.78 CYP2C19 (0.49) KDM4EALDH1A1GAAPOLBRAD52
SCHEMBL19306613 0.78 ALDH1A1 (0.57) ALDH1A1HPGDCYP2C19
SCHEMBL4720427 0.78 NPC1 (0.41) KDM4EALDH1A1POLBMAPTROCK2
SCHEMBL9505875 0.77 KCNH3 (0.41) ALDH1A1LMNARAB9AMAPTSMN1; SMN2
SCHEMBL4630247 0.77 KCNH3 (0.41) KDM4EMAPK1ALDH1A1POLBLMNA
SCHEMBL1388526 0.76
SCHEMBL5487787 0.76
SCHEMBL5538617 0.73 SLC2A1 (0.39) KDM4EALDH1A1GAALMNAMITF

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
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 US disclosed
US-6316464-B1 P38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 KDM4E 2542/4885MAPK1 3386/4885ALDH1A1 4359/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 KDM4E 2421/4885MAPK1 3402/4885ALDH1A1 4381/4885

“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.