SCHEMBL16363333

SCHEMBL16363333

CCOC(=O)c1cc2c(Nc3ccc(C)cc3)ncnc2n1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 2/20 0.57
RAB9A P51151 1/20 0.50
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HAVCR2 Q8TDQ0 1/20 0.49
XDH P47989 2/20 0.48
JAK2 O60674 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL3399944 0.88 ABL1 (0.58) KDM4EALDH1A1HSD17B10
SCHEMBL16363307 0.85 JAK2 (0.55) KDM4ERAB9ALMNAMAPTRXFP1
SCHEMBL19677819 0.85 HAVCR2 (0.54) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL16363325 0.84 HAVCR2 (0.49) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL16363337 0.79 HAVCR2 (0.48) KDM4ELMNAMAPTRXFP1HAVCR2
SCHEMBL16363316 0.78 HSD17B10 (0.56) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL29073960 0.77
SCHEMBL16363306 0.76 HAVCR2 (0.55) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL28674155 0.76 JAK2 (0.44) KDM4EALDH1A1HSD17B10RAB9ALMNA
SCHEMBL16363323 0.75 HAVCR2 (0.44) KDM4ELMNAMAPTRXFP1HAVCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-12-07 US disclosed
US-9670214-B2 Small molecule myristate inhibitors of Bcr-abl and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-06 US disclosed
US-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE (US) 2015-04-02 US disclosed
US-8921336-B2 Small molecule myristate inhibitors of BCR-ABL and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-12-30 US disclosed
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE THE SCRIPPS RESEARCH INSTITUTE 2011-12-22 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 (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-20150094275-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 KDM4E 409/4885ALDH1A1 3382/4885HSD17B10 3611/4885
US-20110312908-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND METHODS OF USE BCR, ABL1, MCL1 KDM4E 740/4885ALDH1A1 2975/4885HSD17B10 2295/4885
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 KDM4E 729/4885ALDH1A1 1282/4885HSD17B10 2725/4885

“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.