SCHEMBL673067

SCHEMBL673067

Oc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ABL1 P00519 2/20 0.50
ABCB1 P08183 2/20 0.50
BCR P11274 2/20 0.50
HSD17B1 P14061 3/20 0.48
HSD17B2 P37059 3/20 0.48
ESR2 Q92731 3/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
MMP3 P08254 2/20 0.41
BCL2L1 Q07817 1/20 0.41
FGFR1 P11362 5/20 0.39
FGFR2 P21802 3/20 0.39
FGFR3 P22607 3/20 0.39
APP P05067 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL674152 0.87 HSD17B1 (0.57) ESR1MEN1KMT2AABL1ABCB1
SCHEMBL4655029 0.86 GP6 (0.49) ESR1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL672712 0.86 ESR1 (0.46) ESR1MEN1KMT2AABL1ABCB1
SCHEMBL12761250 0.86 GP6 (0.37) ESR1MEN1KMT2AHSD17B1HSD17B2
SCHEMBL859970 0.84 HSD17B1 (0.52) ESR1HSD17B1HSD17B2ESR2CYP3A4
SCHEMBL595369 0.84 PKM (0.44) ESR1MEN1KMT2AESR2MMP3
SCHEMBL6893920 0.83 NR1H2 (0.38) ESR1MEN1KMT2A
SCHEMBL28400263 0.82 PKM (0.43) ESR1MEN1KMT2AESR2MMP3
SCHEMBL16158539 0.80 TP53 (0.41) CYP3A4CYP2C9FGFR1
SCHEMBL9941579 0.79 ESR1 (0.56) ESR1ABL1ABCB1BCRHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 US disclosed
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 US disclosed
US-20130225819-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-29 US disclosed
WO-2012024495-A1 USE OF AZIDES IN SYNTHESIS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-02-23 WO 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 (1 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-20130225819-A1 USE OF AZIDES IN SYNTHESIS ABL1, ABL2, TST ESR1 2449/4885MEN1 3042/4885KMT2A 1704/4885

“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.