SCHEMBL4249759

SCHEMBL4249759

O=Cc1ccc2ncc(F)n2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.38
DYRK2 Q92630 2/20 0.38
DYRK1B Q9Y463 2/20 0.38
TGFBR1 P36897 10/20 0.37
KCNJ1 P48048 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM2 Q14416 2/20 0.32

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
SCHEMBL4253831 0.79 KCNJ1 (0.35) DYRK1ADYRK2DYRK1BTGFBR1KCNJ1
SCHEMBL13745167 0.79 TGFBR1 (0.40) TGFBR1KCNJ1ALDH1A1CYP1A2CYP2C9
SCHEMBL4255030 0.79 DYRK1A (0.38) DYRK1ADYRK2DYRK1BTGFBR1KCNJ1
SCHEMBL18041741 0.75 TGFBR1 (0.55) TGFBR1
SCHEMBL4251800 0.74 PIK3CG (0.57) DYRK1ADYRK2DYRK1B
SCHEMBL4251796 0.74 PIK3CG (0.57) DYRK1ADYRK2DYRK1B
SCHEMBL4253251 0.72 CHEK1 (0.50)
SCHEMBL18041661 0.72 PIK3CA (0.47) TGFBR1
SCHEMBL4251377 0.69 CYP11B2 (0.41)
SCHEMBL4253156 0.68 FYN (0.41) TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 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-20090215818-A1 THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PI4KA, PIP4K2A DYRK1A 1743/4885DYRK2 1272/4885DYRK1B 1618/4885

“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.