SCHEMBL10131569

SCHEMBL10131569

O=c1nc[nH]c2ncc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.46
AURKA O14965 3/20 0.46
JAK2 O60674 3/20 0.46
MAP4K4 O95819 3/20 0.46
FGFR1 P11362 3/20 0.46
FLT1 P17948 3/20 0.46
KDR P35968 3/20 0.46
CLK2 P49760 3/20 0.46
CDK5 Q00535 3/20 0.46
MAP4K2 Q12851 3/20 0.46
AURKB Q96GD4 3/20 0.46
CLK4 Q9HAZ1 3/20 0.46
PRKD3 O94806 2/20 0.46
TAOK1 Q7L7X3 2/20 0.46
FLT3 P36888 2/20 0.46
IGF1R P08069 2/20 0.46
JAK3 P52333 2/20 0.46
LIMK1 P53667 2/20 0.46
NTRK2 Q16620 2/20 0.46
CSNK2A1 P68400 2/20 0.46

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
SCHEMBL10131568 0.74 AURKA (0.47) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL190623 0.74 DYRK1A (0.46) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL11968456 0.73 DYRK1A (0.54) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL389901 0.72 PIM1 (0.54) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL1851401 0.72 PIM1 (0.43) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL29824522 0.72 SMN1; SMN2 (0.47) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL28960259 0.72 DYRK1A (0.45) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL24566409 0.71 DYRK1A (0.47) DYRK1AAURKAJAK2MAP4K4FGFR1
SCHEMBL1704740 0.71 RPS6KA5 (0.37) AURKAAURKBFLT3PIM1ABL1
SCHEMBL1564507 0.69 GSK3B (0.56) DYRK1AAURKAJAK2MAP4K4FGFR1

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
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 EP disclosed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 WO disclosed
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-8093243-B2 Inhibit the function of the non-structural proteins (NS5A) BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 US disclosed
US-20090233925-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-09-17 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 (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-20090233925-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS DYRK1A 4829/4885AURKA 4266/4885JAK2 1054/4885

“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.