SCHEMBL580847

SCHEMBL580847

Nc1cc(-c2cccnc2F)ccn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.48
MAPT P10636 2/20 0.43
DYRK1A Q13627 8/20 0.42
DYRK3 O43781 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK4 Q9NR20 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAP4K4 O95819 1/20 0.42
AKT1 P31749 1/20 0.41
BACE1 P56817 4/20 0.41
CTSD P07339 3/20 0.40
BACE2 Q9Y5Z0 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
GSK3B P49841 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40

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
SCHEMBL29890904 1.00 CYP11B2 (0.48) CYP11B2MAPTDYRK1ADYRK3CLK1
SCHEMBL972623 0.82 MKNK1 (0.49) DYRK1ADYRK3CLK1DYRK2DYRK4
SCHEMBL29889821 0.79 CYP11B2 (0.55) CYP11B2MAPTGSK3B
SCHEMBL26785258 0.79 MAP4K4 (0.69) CYP11B2MAPTMAP4K4BACE1CTSD
SCHEMBL2459173 0.79 CYP11B2 (0.48) CYP11B2MAPTDYRK1ABACE1CTSD
SCHEMBL29889826 0.79 CYP11B2 (0.48) CYP11B2MAPTDYRK1ABACE1CTSD
SCHEMBL944215 0.77 MKNK1 (0.44) CYP11B2MAPTDYRK1ABACE1CTSD
SCHEMBL29889827 0.76 NOTUM (0.49) CYP11B2MAPTMAP4K4GSK3B
SCHEMBL2486570 0.76 NOTUM (0.49) CYP11B2MAPTMAP4K4GSK3B
SCHEMBL18255779 0.76 CYP11B2 (0.47) CYP11B2MAPTMAP4K4BACE1CTSD

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
US-9242961-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2016-01-26 US disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-1984353-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2015-12-30 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
EP-2418209-B1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2014-03-06 US disclosed
US-7560551-B2 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
US-20090163501-A1 Aurora kinase modulators and method of use AMGEN INC. (US) 2009-06-25 US disclosed
EP-1984353-A1 AURORA KINASE MODULATORS AND METHOD OF USE Amgen, Inc (US) 2008-10-29 EP disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
US-20070185111-A1 Aurora kinase modulators and method of use AMGEN INC. 2007-08-09 US disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 WO disclosed
WO-2007087276-A1 AURORA KINASE MODULATORS AND METHOD OF USE AMGEN INC. (US) 2007-08-02 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 (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-20140066430-A1 AURORA KINASE MODULATORS AND METHOD OF USE AURKC, AURKA, AURKB CYP11B2 1997/4885MAPT 2283/4885DYRK1A 462/4885
US-20070185111-A1 Aurora kinase modulators and method of use AURKC, AURKA, CDK1 CYP11B2 1569/4885MAPT 1958/4885DYRK1A 392/4885
US-20090163501-A1 Aurora kinase modulators and method of use AURKC, AURKA, AURKB CYP11B2 1997/4885MAPT 2283/4885DYRK1A 462/4885

“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.