SCHEMBL4255030

SCHEMBL4255030

O=Cc1ccc2ncc(Cl)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
DYRK3 O43781 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TGFBR1 P36897 9/20 0.36
KCNJ1 P48048 2/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.34
CASP6 P55212 1/20 0.32
TNF P01375 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 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
SCHEMBL13745167 0.79 TGFBR1 (0.40) TGFBR1KCNJ1ALDH1A1CYP1A2CYP2C9
SCHEMBL4249759 0.79 DYRK1A (0.38) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL4253831 0.79 KCNJ1 (0.35) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL28041698 0.75 POLB (0.54) ALDH1A1POLB
SCHEMBL18041741 0.75 TGFBR1 (0.55) TGFBR1
SCHEMBL4254853 0.74 RAB9A (0.59) DYRK1ADYRK2DYRK1B
SCHEMBL4254857 0.74 RAB9A (0.59) DYRK1ADYRK2DYRK1B
SCHEMBL31423373 0.73 POLB (0.41) DYRK1ADYRK2DYRK1BDYRK3CCNT1
SCHEMBL4253251 0.72 CHEK1 (0.50)
SCHEMBL20125127 0.72 CYP1A2 (0.53) ALDH1A1POLBCYP1A2CYP2C9

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.