SCHEMBL678629

SCHEMBL678629

CN1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.79
HRH3 Q9Y5N1 9/20 0.66
PSMB1 P20618 2/20 0.63
PSMB5 P28074 2/20 0.63
PSMB2 P49721 2/20 0.63
LTA4H P09960 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KCNA5 P22460 1/20 0.56
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
NPC1 O15118 1/20 0.54
MITF O75030 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL14093238 0.92 HRH3 (0.78) KDM4EHRH3USP2ALDH1A1HPGD
SCHEMBL270794 0.89 KDM4E (1.00) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL17300729 0.89 KDM4E (0.94) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL20234324 0.88 KDM4E (0.75) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL17694433 0.87 KDM4E (0.97) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL12780029 0.87 KDM4E (0.97) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL14349553 0.85 KDM4E (0.71) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL14349567 0.84 KDM4E (0.75) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL4404318 0.84 KDM4E (0.75) KDM4EHRH3PSMB1PSMB5PSMB2
SCHEMBL13761571 0.84 KDM4E (0.75) KDM4EHRH3PSMB1PSMB5PSMB2

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-9045484-B2 Inhibitors of the BMP signaling pathway THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-06-02 US disclosed
US-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20140011805-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2014-01-09 US disclosed
US-8507501-B2 Inhibitors of the BMP signaling pathway THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-08-13 US disclosed
WO-2013024282-A2 COMPOUNDS AND THEIR USES DOMAINEX LIMITED (GB) 2013-02-21 WO disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-03-03 US disclosed
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2011-03-03 US disclosed
US-7417053-B2 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED (JP) 2008-08-26 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 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 (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-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KDM4E 1877/4885HRH3 2212/4885PSMB1 2616/4885
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 KDM4E 2789/4885HRH3 485/4885PSMB1 2286/4885
US-20110053930-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 KDM4E 1806/4885HRH3 2326/4885PSMB1 2880/4885
US-20140011805-A1 INHIBITORS OF THE BMP SIGNALING PATHWAY BMP1, BMP2K, BMP2 KDM4E 1806/4885HRH3 2326/4885PSMB1 2880/4885

“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.