SCHEMBL6300593

SCHEMBL6300593

Cc1nc2nc(C#N)ccc2n1Cc1ccc2ccccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 2/20 0.34
NR2F2 P24468 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
LTA4H P09960 1/20 0.33
PIK3C2B O00750 6/20 0.32
ADRB2 P07550 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
TLR8 Q9NR97 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL6305278 0.82 KMT2A (0.36) GALR3NR2F2NPC1RAB9AMAPT
SCHEMBL6301301 0.77 PTGER4 (0.48) NPC1RAB9APIK3C2BMAPTHDAC3
SCHEMBL6299029 0.76 ABL1 (0.38) GALR3NR2F2NPC1RAB9ACYP1A2
SCHEMBL6299155 0.74 KDM4E (0.38) CYP1A2CYP2C9LTA4HPIK3C2BMAPT
SCHEMBL6300511 0.74 NPSR1 (0.41) CYP1A2CYP2C9PIK3C2B
SCHEMBL6299065 0.73 TNF (0.45) GALR3NR2F2RAB9ALTA4HMAPT
SCHEMBL6303708 0.67 HDAC1 (0.48) GALR3NR2F2NPC1RAB9APIK3C2B
SCHEMBL27516368 0.67 ALDH1A1 (0.41) NPC1RAB9AADRB2MAPTMAPK1
SCHEMBL956020 0.66 POLB (0.46)
SCHEMBL6300414 0.64 KMT2A (0.39) PIK3C2BMAPTHDAC3HDAC4HDAC1

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 GALR3 59/4885NR2F2 2180/4885NPC1 4449/4885
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 GALR3 216/4885NR2F2 2013/4885NPC1 4845/4885

“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.