SCHEMBL3309507

SCHEMBL3309507

Nc1cccc(-c2nccc3nc(Nc4ccccc4)nn23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.49
PLK1 P53350 2/20 0.46
CAMK2D Q13557 1/20 0.45
SYK P43405 1/20 0.45
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDK5 Q00535 1/20 0.43
KMT2A Q03164 1/20 0.43
CDK5R1 Q15078 1/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
SRC P12931 2/20 0.43
EGFR P00533 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
KDR P35968 2/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL3301223 0.87 KDR (0.52) JAK2PLK1NPC1RAB9AABL1
SCHEMBL3306057 0.86 ADORA2A (0.46) JAK2PLK1SYKKDRFLT1
SCHEMBL3306579 0.86 JAK2 (0.52) JAK2PLK1KDRFLT1FLT4
SCHEMBL3304261 0.83 JAK2 (0.48) JAK2PLK1CAMK2DABL1EGFR
SCHEMBL3304002 0.82 JAK2 (0.45) JAK2PLK1KDRJAK3
SCHEMBL3300054 0.82 JAK2 (0.46) JAK2PLK1KDRJAK3
SCHEMBL2144831 0.81 JAK2 (0.56) JAK2JAK3
SCHEMBL14353857 0.81 PLK1 (0.53) PLK1MEN1RAB9AKMT2AABL1
SCHEMBL3309445 0.79 JAK2 (0.46) JAK2CAMK2DCDK5PRKACAKDR
SCHEMBL10596130 0.79 EGLN2 (0.47) JAK2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885PLK1 321/4885CAMK2D 274/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 JAK2 26/4885PLK1 321/4885CAMK2D 274/4885

“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.