SCHEMBL6300063

SCHEMBL6300063

Cc1nc2ccc(Br)nc2n1Cc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 7/20 0.38
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
KCNH2 Q12809 1/20 0.37
CDK9 P50750 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36
TRAP1 Q12931 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK4 Q9NR20 1/20 0.36

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
SCHEMBL6301874 0.84 PPARG (0.43) CYP2D6CYP2C19CYP2C9CDK9DYRK1A
SCHEMBL6299386 0.83 MRGPRX4 (0.42) CYP2D6CYP2C19CYP3A4CYP2C9KCNH2
SCHEMBL6490800 0.82 ALDH1A1 (0.38) PDE2ACDK9DYRK1ADYRK2PDE10A
SCHEMBL6298644 0.81 CDK9 (0.39) PDE2ACDK9DYRK1ADYRK2PDE10A
SCHEMBL6299017 0.80 MRGPRX4 (0.39) CYP2D6CYP2C19CYP3A4CYP2C9ALDH1A1
SCHEMBL6299664 0.80 SMN1; SMN2 (0.40) CDK9DYRK1ADYRK2P2RX7ALDH1A1
SCHEMBL6298594 0.80 ALDH1A1 (0.40) CDK9DYRK1ADYRK2PDE10AMEN1
SCHEMBL6298833 0.79 HDAC3 (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6300531 0.78 MAPT (0.42) PDE2ACYP2C19CYP2C9PDE10ACYP1A2
SCHEMBL6298685 0.78 MAPT (0.42) CYP2D6CYP2C19CYP3A4CYP2C9CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6911469-B2 Sulfonamide compounds and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-28 US disclosed
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 US disclosed
US-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-07-25 US disclosed
US-6348474-B1 COMPOUNDS AS ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP 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-20020099212-A1 For therapy of disease treatable based on a blood sugar level-depressing activity or a disease treatable based on a cGMP-PDE inhibiting activity, smooth muscle relaxing activity, bronchodilating activity, vasodilating activity PDE2A, PDE3A, PDE12 PDE2A 1/4885CYP2D6 1406/4885CYP2C19 1492/4885
US-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM PDE2A 1/4885CYP2D6 1121/4885CYP2C19 1278/4885

“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.